Chem
J-GLOBAL ID:200907087725629700   Nikkaji number:J426.055D

(2S)-2-[[(2R,4S,5S)-5-(tert-Butoxycarbonylamino)-2-benzyl-4-hydroxy-6-phenylhexanoyl]amino]-N-(2-hydroxy-3-morpholinopropyl)-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-(2-ヒドロキシ-3-モルホリノプロピル)-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: C36H54N4O7
Molecular formula furigana: C36-H54-N4-O7
Molecular weight: 654.849
InChI: InChI=1S/C36H54N4O7/c1-25(2)32(34(44)37-23-29(41)24-40-16-18-46-19-17-40)39-33(43)28(20-26-12-8-6-9-13-26)22-31(42)30(21-27-14-10-7-11-15-27)38-35(45)47-36(3,4)5/h6-15,25,28-32,41-42H,16-24H2,1-5H3,(H,37,44)(H,38,45)(H,39,43)/t28-,29?,30+,31+,32+/m1/s1
InChI key: BVKOLKJKMVRTSB-QUMXDLMTSA-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)NCC(O)CN1CCOCC1
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-(2-ヒドロキシ-3-モルホリノプロピル)-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)-1-{[2-ヒドロキシ-3-(モルホリン-4-イル)プロピル]カルバモイル}-2-メチルプロピル]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)-1-{[2-hydroxy-3-(morpholin-4-yl)propyl]carbamoyl}-2-methylpropyl]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-(2-hydroxy-3-morpholinopropyl)-3-methylbutyramide
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