Chem
J-GLOBAL ID：200907069373725447   Nikkaji number：J921.682K

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

N-[(1S,2S,4S)-1-ベンジル-2-ヒドロキシ-4-[[N-[[(2-エチルチアゾール-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： C37H45N5O6S
Molecular formula furigana： C37-H45-N5-O6-S
Molecular weight： 687.860
InChI： InChI=1S/C37H45N5O6S/c1-4-33-39-30(24-49-33)23-48-37(46)42-34(25(2)3)35(44)40-29(18-26-12-7-5-8-13-26)20-32(43)31(19-27-14-9-6-10-15-27)41-36(45)47-22-28-16-11-17-38-21-28/h5-17,21,24-25,29,31-32,34,43H,4,18-20,22-23H2,1-3H3,(H,40,44)(H,41,45)(H,42,46)/t29-,31-,32-,34-/m0/s1
InChI key： MULBTXXZMYALLA-JKAXMSHYSA-N
SMILES： CCc1nc(COC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)Cc2ccccc2)cs1
Systematic name  (3)：
  • N-[(1S,2S,4S)-1-ベンジル-2-ヒドロキシ-4-[[N-[[(2-エチルチアゾール-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,3S,5S)-5-[(2S)-2-({[(2-エチル-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]-3-ヒドロキシ-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,3S,5S)-5-[(2S)-2-({[(2-ethyl-1,3-thiazol-4-yl)methoxy]carbonyl}amino)-3-methylbutanamido]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Other name (1)：
  • N-[(1S,2S,4S)-1-Benzyl-2-hydroxy-4-[[N-[[(2-ethylthiazol-4-yl)methoxy]carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 3-pyridinylmethyl ester
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