Chem
J-GLOBAL ID:200907001710499310
Nikkaji number:J955.131J
(αS,3S)-α,3α-Dibenzyl-2-oxo-3-(methoxycarbonyl)-5α-[[[N-(tert-butyloxycarbonyl)-D-tryptophyl]amino]methyl]pyrrolidine-1-acetic acid methyl ester
(αS,3S)-α,3α-ジベンジル-2-オキソ-3-(メトキシカルボニル)-5α-[[[N-(tert-ブチルオキシカルボニル)-D-トリプトフィル]アミノ]メチル]ピロリジン-1-酢酸メチル
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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:
C40 H46 N4 O8
Molecular formula furigana:
C40-H46-N4-O8
Molecular weight:
710.828
InChI:
InChI=1S/C40H46N4O8/c1-39(2,3)52-38(49)43-32(21-28-24-41-31-19-13-12-18-30(28)31)34(45)42-25-29-23-40(37(48)51-5,22-27-16-10-7-11-17-27)36(47)44(29)33(35(46)50-4)20-26-14-8-6-9-15-26/h6-19,24,29,32-33,41H,20-23,25H2,1-5H3,(H,42,45)(H,43,49)/t29-,32-,33+,40+/m1/s1
InChI key:
BYCVACNVUOFNFI-OGDDXFJHSA-N
SMILES:
COC(=O)[C@H](Cc1ccccc1)N1[C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C[C@](Cc2ccccc2)(C(=O)OC)C1=O
Systematic name (3):
(αS,3S)-α,3α-ジベンジル-2-オキソ-3-(メトキシカルボニル)-5α-[[[N-(tert-ブチルオキシカルボニル)-D-トリプトフィル]アミノ]メチル]ピロリジン-1-酢酸メチル
メチル (3S,5R)-3-ベンジル-5-{[(2R)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-(1H-インドール-3-イル)プロパンアミド]メチル}-1-[(2S)-1-メトキシ-1-オキソ-3-フェニルプロパン-2-イル]-2-オキソピロリジン-3-カルボキシラート
methyl (3S,5R)-3-benzyl-5-{[(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido]methyl}-1-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-2-oxopyrrolidine-3-carboxylate
Other name (1):
(αS,3S)-α,3α-Dibenzyl-2-oxo-3-(methoxycarbonyl)-5α-[[[N-(tert-butyloxycarbonyl)-D-tryptophyl]amino]methyl]pyrrolidine-1-acetic acid methyl ester
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