Chemical Compound

2-(trimethylsilyl)ethyl N-[(1R)-1-{[(1S)-2-(3-{5-[(1R)-2-(benzyloxy)-1-{[(tert-butoxy)carbonyl]amino}ethyl]-2-methoxyphenoxy}-5-methoxyphenyl)-1-{[(1R,13S,16S,17R,28R)-34-chloro-17,25-dihydroxy-5,8,10,24-tetramethoxy-13-{[(2-methoxyethoxy)methoxy]methyl}-15,29,31-trioxo-22-oxa-14,30,32-triazahexacyclo[14.14.2.218,21.12,6.123,27.07,12]hexatriaconta-2,4,6(36),7,9,11,18,20,23(33),24,26,34-dodecaen-28-yl]carbamoyl}ethyl]carbamoyl}-2-(4-fluoro-3-nitrophenyl)ethyl]carbamate

2-(trimethylsilyl)ethyl N-[(1R)-1-{[(1S)-2-(3-{5-[(1R)-2-(benzyloxy)-1-{[(tert-butoxy)carbonyl]amino}ethyl]-2-methoxyphenoxy}-5-methoxyphenyl)-1-{[(1R,13S,16S,17R,28R)-34-chloro-17,25-dihydroxy-5,8,10,24-tetramethoxy-13-{[(2-methoxyethoxy)methoxy]methyl}-15,29,31-trioxo-22-oxa-14,30,32-triazahexacyclo[14.14.2.218,21.12,6.123,27.07,12]hexatriaconta-2,4,6(36),7,9,11,18,20,23(33),24,26,34-dodecaen-28-yl]carbamoyl}ethyl]carbamoyl}-2-(4-fluoro-3-nitrophenyl)ethyl]carbamate 结构式
Primary record

2-(trimethylsilyl)ethyl N-[(1R)-1-{[(1S)-2-(3-{5-[(1R)-2-(benzyloxy)-1-{[(tert-butoxy)carbonyl]amino}ethyl]-2-methoxyphenoxy}-5-methoxyphenyl)-1-{[(1R,13S,16S,17R,28R)-34-chloro-17,25-dihydroxy-5,8,10,24-tetramethoxy-13-{[(2-methoxyethoxy)methoxy]methyl}-15,29,31-trioxo-22-oxa-14,30,32-triazahexacyclo[14.14.2.218,21.12,6.123,27.07,12]hexatriaconta-2,4,6(36),7,9,11,18,20,23(33),24,26,34-dodecaen-28-yl]carbamoyl}ethyl]carbamoyl}-2-(4-fluoro-3-nitrophenyl)ethyl]carbamate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177470414
SMILES
CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C2=CC(=C(C=C2)OC)OC3=CC(=CC(=C3)OC)C[C@@H](C(=O)N[C@@H]4C5=CC(=C(C(=C5)OC6=C(C=C(C=C6)[C@H]([C@H]7C(=O)NC(C8=C(C(=CC(=C8)OC)OC)C9=C(C=CC(=C9)[C@H](C(=O)N7)NC4=O)OC)COCOCCOC)O)Cl)OC)O)NC(=O)[C@@H](CC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)OCC[Si](C)(C)C
Canonical SMILES
COCCOCOCC1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](Cc3cc(OC)cc(Oc4cc([C@H](COCc5ccccc5)NC(=O)OC(C)(C)C)ccc4OC)c3)NC(=O)[C@@H](Cc3ccc(F)c([N+](=O)[O-])c3)NC(=O)OCC[Si](C)(C)C)c3cc(O)c(OC)c(c3)Oc3ccc(cc3Cl)[C@H]2O)c2ccc(OC)c(c2)-c2c(OC)cc(OC)cc21

名称与同义词

  • J1.518.123K
  • (3R)-3beta,18beta-[(4-Methoxy-1,3-phenylene)(4,6-dimethoxy-1,2-phenylene)[(S)-(2-methoxyethoxymethoxymethyl)methylene]iminocarbonyl]-6alpha-[N-[2-(trimethylsilyl)ethoxycarbonyl]-3-nitro-4-fluoro-D-Phe-3-methoxy-5-[2-methoxy-5-[(R)-1-(tert-butoxycarbonylamino)-2-(benzyloxy)ethyl]phenoxy]-L-Phe-amino]-9,17beta-dihydroxy-10-methoxy-14-chloro-7,11-metheno-13,16-etheno-12-oxa-1,4-diazacyclooctadecane-7,9,13,15-tetrene-2,5-dione
  • 2-(trimethylsilyl)ethyl N-[(1R)-1-{[(1S)-2-(3-{5-[(1R)-2-(benzyloxy)-1-{[(tert-butoxy)carbonyl]amino}ethyl]-2-methoxyphenoxy}-5-methoxyphenyl)-1-{[(1R,13S,16S,17R,28R)-34-chloro-17,25-dihydroxy-5,8,10,24-tetramethoxy-13-{[(2-methoxyethoxy)methoxy]methyl}-15,29,31-trioxo-22-oxa-14,30,32-triazahexacyclo[14.14.2.218,21.12,6.123,27.07,12]hexatriaconta-2,4,6(36),7,9,11,18,20,23(33),24,26,34-dodecaen-28-yl]carbamoyl}ethyl]carbamoyl}-2-(4-fluoro-3-nitrophenyl)ethyl]carbamate