Chemical Compound

(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-[(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-28,45-di(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

CAS Registry Number 164802-68-0
返回搜索 申请报价
(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-[(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-28,45-di(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 结构式
Primary record

(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-[(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-28,45-di(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

库存
4,713 克
纯度
98.6 %
CAS
164802-68-0

化合物标识与属性

CAS
164802-68-0
PubChem CID
16130275
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H]3CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CC5=CC=CC=C5)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)CO)C(C)C)CC(C)C)CC(=O)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)O)C(C)C
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)O)NC(=O)[C@H](C(C)C)NC1=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC3=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N2

名称与同义词

  • Siamycin I
  • Siamycin-I
  • CLGVGSCNDFAGCGYAIVCFW
  • BMY 29304
  • NP-06
  • 164802-68-0
  • GTPL14232
  • DTXSID70167811
  • MS 271
  • FR901724
  • MS-27
  • FR 901724
  • DA-51269
  • (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-[(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-28,45-di(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
  • ((1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,45S,51S,54R,60S)-60-(2-amino-2-oxoethyl)-4-benzyl-25-((S)-sec-butyl)-19-(4-hydroxybenzyl)-39-(hydroxymethyl)-51-isobutyl-28,45-diisopropyl-7,22-dimethyl-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecaoxo-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecaazatricyclo[34.21.5.413,54]hexahexacontane-31-carbonyl)-L-phenylalanyl-L-tryptophan
  • (2S)-2-[(2S)-2-{[(1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,45S,51S,54R,60S)-4-BENZYL-25-[(2S)-BUTAN-2-YL]-60-(CARBAMOYLMETHYL)-39-(HYDROXYMETHYL)-19-[(4-HYDROXYPHENYL)METHYL]-28,45-DIISOPROPYL-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-33,34,64,65-TETRATHIA-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-NONADECAAZATRICYCLO[34.21.5.4(1)(3),??]HEXAHEXACONTAN-31-YL]FORMAMIDO}-3-PHENYLPROPANAMIDO]-3-(1H-INDOL-3-YL)PROPANOIC ACID
  • (2S)-2-[[(2S)-2-[[(2-amino-2-oxo-ethyl)-benzyl-(hydroxymethyl)-[(4-hydroxyphenyl)methyl]-isobutyl-diisopropyl-dimethyl-[(1S)-1-methylpropyl]-nonadecaoxo-[?]carbonyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
  • N-[(1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,45S,51S,54R,60S)-60-(2-Amino-2-oxoethyl)-4-benzyl-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-28,45-di(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-nonadecaazatricyclo[34.21.5.4~13,54~]hexahexacontane-31-carbonyl]-L-phenylalanyl-L-tryptophan