Chem
J-GLOBAL ID:200907057549665545   Nikkaji number:J924.092F

N-[(1S,2S,4S)-1-Benzyl-2-hydroxy-4-[[[[methyl[(2-ethyl-4-thiazolyl)methyl]amino]carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 5-thiazolylmethyl ester

N-[(1S,2S,4S)-1-ベンジル-2-ヒドロキシ-4-[[[[メチル[(2-エチル-4-チアゾリル)メチル]アミノ]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5-チアゾリルメチル
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: C36H46N6O5S2
Molecular formula furigana: C36-H46-N6-O5-S2
Molecular weight: 706.920
InChI: InChI=1S/C36H46N6O5S2/c1-5-32-38-28(22-48-32)20-42(4)35(45)41-33(24(2)3)34(44)39-27(16-25-12-8-6-9-13-25)18-31(43)30(17-26-14-10-7-11-15-26)40-36(46)47-21-29-19-37-23-49-29/h6-15,19,22-24,27,30-31,33,43H,5,16-18,20-21H2,1-4H3,(H,39,44)(H,40,46)(H,41,45)/t27-,30-,31-,33-/m0/s1
InChI key: OYEPOHCIXAAUDI-UDRKEFQJSA-N
SMILES: CCc1nc(CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1
Systematic name  (3):
  • N-[(1S,2S,4S)-1-ベンジル-2-ヒドロキシ-4-[[[[メチル[(2-エチル-4-チアゾリル)メチル]アミノ]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5-チアゾリルメチル
  • (1,3-チアゾール-5-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)メチル](メチル)カルバモイル}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
  • (1,3-thiazol-5-yl)methyl N-[(2S,3S,5S)-5-[(2S)-2-({[(2-ethyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-3-methylbutanamido]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Other name (1):
  • N-[(1S,2S,4S)-1-Benzyl-2-hydroxy-4-[[[[methyl[(2-ethyl-4-thiazolyl)methyl]amino]carbonyl]-L-valyl]amino]-5-phenylpentyl]carbamic acid 5-thiazolylmethyl ester
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