Chemical Compound

(2S)-2-(((2S)-2-((((1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,45S,51S,54R,60S)-4-benzyl-25,45-bis((2S)-butan-2-yl)-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecahydroxy-60-(2-hydroxy-2-iminoethyl)-39-(hydroxymethyl)-19-((4-hydroxyphenyl)methyl)-7,22-dimethyl-51-(2-methylpropyl)-28-propan-2-yl-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecazatricyclo(34.21.5.413,54)hexahexaconta-2,5,8,11,14,17,20,23,26,29,37,40,43,46,49,52,55,58,61-nonadecaen-31-yl)-hydroxymethylidene)amino)-1-hydroxy-3-phenylpropylidene)amino)-3-(1H-indol-3-yl)propanoic acid

CAS Registry Number 164802-69-1
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(2S)-2-(((2S)-2-((((1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,45S,51S,54R,60S)-4-benzyl-25,45-bis((2S)-butan-2-yl)-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecahydroxy-60-(2-hydroxy-2-iminoethyl)-39-(hydroxymethyl)-19-((4-hydroxyphenyl)methyl)-7,22-dimethyl-51-(2-methylpropyl)-28-propan-2-yl-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecazatricyclo(34.21.5.413,54)hexahexaconta-2,5,8,11,14,17,20,23,26,29,37,40,43,46,49,52,55,58,61-nonadecaen-31-yl)-hydroxymethylidene)amino)-1-hydroxy-3-phenylpropylidene)amino)-3-(1H-indol-3-yl)propanoic acid 结构式
Primary record

(2S)-2-(((2S)-2-((((1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,45S,51S,54R,60S)-4-benzyl-25,45-bis((2S)-butan-2-yl)-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecahydroxy-60-(2-hydroxy-2-iminoethyl)-39-(hydroxymethyl)-19-((4-hydroxyphenyl)methyl)-7,22-dimethyl-51-(2-methylpropyl)-28-propan-2-yl-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecazatricyclo(34.21.5.413,54)hexahexaconta-2,5,8,11,14,17,20,23,26,29,37,40,43,46,49,52,55,58,61-nonadecaen-31-yl)-hydroxymethylidene)amino)-1-hydroxy-3-phenylpropylidene)amino)-3-(1H-indol-3-yl)propanoic acid

库存
9,379 克
纯度
98.1 %
CAS
164802-69-1

化合物标识与属性

CAS
164802-69-1
PubChem CID
139588883
SMILES
CC[C@@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC(C)C)NC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N3)C)CC4=CC=CC=C4)NC(=O)[C@@H](NC2=O)CC(=O)N)CC5=CC=C(C=C5)O)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)O)CO
Canonical SMILES
CC[C@@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(=O)N2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC3=O)NC(=O)[C@H](CO)NC(=O)CNC1=O

名称与同义词

  • Siamycin II
  • RefChem:931703
  • CHEBI:221016
  • BMY-29303
  • BAT-011152
  • 164802-69-1
  • Cys-Leu-Gly-Ile-Gly-Ser-Cys-Asn-Asp-Phe-Ala-Gly-Cys-Gly-Tyr-Ala-Ile-Val-Cys-Phe-Trp
  • (2S)-2-(((2S)-2-((((1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,45S,51S,54R,60S)-4-benzyl-25,45-bis((2S)-butan-2-yl)-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecahydroxy-60-(2-hydroxy-2-iminoethyl)-39-(hydroxymethyl)-19-((4-hydroxyphenyl)methyl)-7,22-dimethyl-51-(2-methylpropyl)-28-propan-2-yl-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecazatricyclo(34.21.5.413,54)hexahexaconta-2,5,8,11,14,17,20,23,26,29,37,40,43,46,49,52,55,58,61-nonadecaen-31-yl)-hydroxymethylidene)amino)-1-hydroxy-3-phenylpropylidene)amino)-3-(1H-indol-3-yl)propanoic acid
  • (2S)-2-(((2S)-2-(((1S,4S,7S,13R,19S,22S,25S,28R,31R,36R,39S,45S,51S,54R,60S)-60-(2-amino-2-oxoethyl)-4-benzyl-45-((2R)-butan-2-yl)-25-((2S)-butan-2-yl)-39-(hydroxymethyl)-19-((4-hydroxyphenyl)methyl)-7,22-dimethyl-51-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecaoxo-28-propan-2-yl-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecazatricyclo(34.21.5.413,54)hexahexacontane-31-carbonyl)amino)-3-phenylpropanoyl)amino)-3-(1H-indol-3-yl)propanoic acid
  • (2S)-2-(((2S)-2-(((1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,45S,51S,54R,60S)-60-(2-amino-2-oxoethyl)-4-benzyl-25,45-bis((2S)-butan-2-yl)-39-(hydroxymethyl)-19-((4-hydroxyphenyl)methyl)-7,22-dimethyl-51-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecaoxo-28-propan-2-yl-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecazatricyclo(34.21.5.413,54)hexahexacontane-31-carbonyl)amino)-3-phenylpropanoyl)amino)-3-(1H-indol-3-yl)propanoic acid
  • (2S)-2-[[(2S)-2-[[(1S,4S,7S,13R,19S,22S,25S,28R,31R,36R,39S,45S,51S,54R,60S)-60-(2-amino-2-oxoethyl)-4-benzyl-45-[(2R)-butan-2-yl]-25-[(2S)-butan-2-yl]-39-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-7,22-dimethyl-51-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecaoxo-28-propan-2-yl-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecazatricyclo[34.21.5.413,54]hexahexacontane-31-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid