Chem
J-GLOBAL ID：200907007842958436   Nikkaji number：J921.680D

N-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4-[[N-[[[2-(methoxymethyl)thiazol-4-yl]methoxy]carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 3-pyridinylmethyl ester

N-[(1S,3S,4S)-1-ベンジル-3-ヒドロキシ-4-[[N-[[[2-(メトキシメチル)チアゾール-4-イル]メトキシ]カルボニル]-L-バリル]アミノ]-5-フェニルペンチル]カルバミン酸3-ピリジニルメチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C37H45N5O7S
Molecular formula furigana： C37-H45-N5-O7-S
Molecular weight： 703.860
InChI： InChI=1S/C37H45N5O7S/c1-25(2)34(42-37(46)49-22-30-24-50-33(39-30)23-47-3)35(44)41-31(18-27-13-8-5-9-14-27)32(43)19-29(17-26-11-6-4-7-12-26)40-36(45)48-21-28-15-10-16-38-20-28/h4-16,20,24-25,29,31-32,34,43H,17-19,21-23H2,1-3H3,(H,40,45)(H,41,44)(H,42,46)/t29-,31-,32-,34-/m0/s1
InChI key： WVYVSMXJBKALFJ-JKAXMSHYSA-N
SMILES： COCc1nc(COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)cs1
Systematic name  (3)：
  • N-[(1S,3S,4S)-1-ベンジル-3-ヒドロキシ-4-[[N-[[[2-(メトキシメチル)チアゾール-4-イル]メトキシ]カルボニル]-L-バリル]アミノ]-5-フェニルペンチル]カルバミン酸3-ピリジニルメチル
  • (ピリジン-3-イル)メチル N-[(2S,4S,5S)-4-ヒドロキシ-5-[(2S)-2-[({[2-(メトキシメチル)-1,3-チアゾール-4-イル]メトキシ}カルボニル)アミノ]-3-メチルブタンアミド]-1,6-ジフェニルヘキサン-2-イル]カルバマート
  • (pyridin-3-yl)methyl N-[(2S,4S,5S)-4-hydroxy-5-[(2S)-2-[({[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxy}carbonyl)amino]-3-methylbutanamido]-1,6-diphenylhexan-2-yl]carbamate
Other name (1)：
  • N-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4-[[N-[[[2-(methoxymethyl)thiazol-4-yl]methoxy]carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 3-pyridinylmethyl ester
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