Chem
J-GLOBAL ID:200907004941478790   Nikkaji number:J426.060K

(2S)-2-[[(2R,4S,5S)-5-(tert-Butoxycarbonylamino)-2-benzyl-4-hydroxy-6-phenylhexanoyl]amino]-N-[(4-pyridinyl)methyl]-3-methylbutyramide

(2S)-2-[[(2R,4S,5S)-5-(tert-ブトキシカルボニルアミノ)-2-ベンジル-4-ヒドロキシ-6-フェニルヘキサノイル]アミノ]-N-[(4-ピリジニル)メチル]-3-メチルブチルアミド
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: C35H46N4O5
Molecular formula furigana: C35-H46-N4-O5
Molecular weight: 602.776
InChI: InChI=1S/C35H46N4O5/c1-24(2)31(33(42)37-23-27-16-18-36-19-17-27)39-32(41)28(20-25-12-8-6-9-13-25)22-30(40)29(21-26-14-10-7-11-15-26)38-34(43)44-35(3,4)5/h6-19,24,28-31,40H,20-23H2,1-5H3,(H,37,42)(H,38,43)(H,39,41)/t28-,29+,30+,31+/m1/s1
InChI key: BIYKCQUSBHEGDM-BHSUFKTOSA-N
SMILES: CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccncc1
Systematic name  (3):
  • (2S)-2-[[(2R,4S,5S)-5-(tert-ブトキシカルボニルアミノ)-2-ベンジル-4-ヒドロキシ-6-フェニルヘキサノイル]アミノ]-N-[(4-ピリジニル)メチル]-3-メチルブチルアミド
  • tert-ブチル N-[(2S,3S,5R)-5-ベンジル-3-ヒドロキシ-5-{[(1S)-2-メチル-1-{[(ピリジン-4-イル)メチル]カルバモイル}プロピル]カルバモイル}-1-フェニルペンタン-2-イル]カルバマート
  • tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1S)-2-methyl-1-{[(pyridin-4-yl)methyl]carbamoyl}propyl]carbamoyl}-1-phenylpentan-2-yl]carbamate
Other name (1):
  • (2S)-2-[[(2R,4S,5S)-5-(tert-Butoxycarbonylamino)-2-benzyl-4-hydroxy-6-phenylhexanoyl]amino]-N-[(4-pyridinyl)methyl]-3-methylbutyramide
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