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阿斯巴甜CAS号 : 22839-47-0 Compound CID : 134601分子式: C14H18N2O5 分子量: 294.3IUPAC Name: (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acidSMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NInChIKey: IAOZJIPTCAWIRG-QWRGUYRKSA-NInChI: InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
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L-丙氨酰-L-谷氨酸盐CAS号 : 39537-23-0 Compound CID : 123935分子式: C8H15N3O4 分子量: 217.22IUPAC Name: (2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acidSMILES: CC(C(=O)NC(CCC(=O)N)C(=O)O)NInChIKey: HJCMDXDYPOUFDY-WHFBIAKZSA-NInChI: InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1
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L-甲硫氨酰甘氨酸CAS号 : 14486-03-4 Compound CID : 6992930分子式: C7H14N2O3S 分子量: 206.26IUPAC Name: 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acidSMILES: CSCCC(C(=O)NCC(=O)O)NInChIKey: QXOHLNCNYLGICT-YFKPBYRVSA-NInChI: InChI=1S/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1
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纽甜CAS号 : 165450-17-9 Compound CID : 9810996分子式: C20H30N2O5 分子量: 378.46IUPAC Name: (3S)-3-(3,3-dimethylbutylamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acidSMILES: CC(C)(C)CCNC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)OCInChIKey: HLIAVLHNDJUHFG-HOTGVXAUSA-NInChI: InChI=1S/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1
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硫酸多粘菌素B分子式: C56H100N16O17S 分子量: 1301.6IUPAC Name: N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide;sulfuric acidSMILES: CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)C(C)O.OS(=O)(=O)OInChIKey: HFMDLUQUEXNBOP-UHFFFAOYSA-NInChI: InChI=1S/C56H98N16O13.H2O4S/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79;1-5(2,3)4/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80);(H2,1,2,3,4)
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L-苯丙氨酰-L-苯丙氨酸分子式: C18H20N2O3 分子量: 312.36IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NInChIKey: GKZIWHRNKRBEOH-HOTGVXAUSA-NInChI: InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16-/m0/s1
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戊二烯醛缩二苯胺盐酸盐分子式: C17H16N2.HCl 分子量: 284.78IUPAC Name: N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochlorideSMILES: C1=CC=C(C=C1)NC=CC=CC=NC2=CC=CC=C2.ClInChIKey: VUCMMJBDNXZQDJ-ZUJIUJENSA-NInChI: InChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H/b9-3+,14-8+,19-15?;
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N-苄氧羰基-甘氨酰甘氨酸分子式: C12H14N2O5 分子量: 266.25IUPAC Name: 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acidSMILES: C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)OInChIKey: VFRCXEHNAFUTQC-UHFFFAOYSA-NInChI: InChI=1S/C12H14N2O5/c15-10(13-7-11(16)17)6-14-12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,18)(H,16,17)
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SYNTIDE 2肽CAS号 : 108334-68-5 Compound CID : 5748289分子式: C68H122N20O18 分子量: 1507.82IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]hexanoyl]amino]hexanoic acidSMILES: CC(C)CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C2CCCN2InChIKey: NKBRRWBNPNUBDD-TYKVATLISA-NInChI: InChI=1S/C68H122N20O18/c1-35(2)29-46(83-57(95)42-21-16-26-73-42)60(98)77-40(10)56(94)81-44(22-17-27-74-68(71)72)59(97)87-54(41(11)90)65(103)84-47(30-36(3)4)61(99)85-49(34-89)62(100)86-53(38(7)8)64(102)78-39(9)55(93)75-32-52(92)80-48(31-37(5)6)66(104)88-28-18-23-50(88)63(101)76-33-51(91)79-43(19-12-14-24-69)58(96)82-45(67(105)106)20-13-15-25-70/h35-50,53-54,73,89-90H,12-34,69-70H2,1-11H3,(H,75,93)(H,76,101)(H,77,98)(H,78,102)(H,79,91)(H,80,92)(H,81,94)(H,82,96)(H,83,95)(H,84,103)(H,85,99)(H,86,100)(H,87,97)(H,105,106)(H4,71,72,74)/t39-,40-,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1
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醋酸伐普肽CAS号 : 849479-74-9 Compound CID : 23498231分子式: C57H70N12O9S2·C2H4O2 分子量: 1191.4IUPAC Name: acetic acid;10-(4-aminobutyl)-N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-19-[(2-amino-3-phenylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamideSMILES: CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)N.CC(=O)OInChIKey: KBIZSMHYSQUHDH-UHFFFAOYSA-NInChI: InChI=1S/C57H70N12O9S2.C2H4O2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58;1-2(3)4/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73);1H3,(H,3,4)
