Chem
J-GLOBAL ID:200907094557842149
Nikkaji number:J2.685.892E
CAA-0225
(2S)-N-ベンジル-2-[[(2S,3S)-3-[(4-ヒドロキシフェネチル)カルバモイル]オキシラン-2-イル]カルボニルアミノ]-3-フェニルプロパンアミド
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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:
C28 H29 N3 O5
Molecular formula furigana:
C28-H29-N3-O5
Molecular weight:
487.556
InChI:
InChI=1S/C28H29N3O5/c32-22-13-11-19(12-14-22)15-16-29-27(34)24-25(36-24)28(35)31-23(17-20-7-3-1-4-8-20)26(33)30-18-21-9-5-2-6-10-21/h1-14,23-25,32H,15-18H2,(H,29,34)(H,30,33)(H,31,35)/t23-,24-,25-/m0/s1
InChI key:
ZMZQYVMNDRBKLO-SDHOMARFSA-N
SMILES:
Oc1ccc(CCNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1
Systematic name (3):
(2S)-N-ベンジル-2-[[(2S,3S)-3-[(4-ヒドロキシフェネチル)カルバモイル]オキシラン-2-イル]カルボニルアミノ]-3-フェニルプロパンアミド
(2S,3S)-N2-[(1S)-1-(ベンジルカルバモイル)-2-フェニルエチル]-N3-[2-(4-ヒドロキシフェニル)エチル]オキシラン-2,3-ジカルボキサミド
(2S,3S)-N2-[(1S)-1-(benzylcarbamoyl)-2-phenylethyl]-N3-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide
Other name (2):
(2S)-N-Benzyl-2-[[(2S,3S)-3-[(4-hydroxyphenethyl)carbamoyl]oxirane-2-yl]carbonylamino]-3-phenylpropanamide
CAA-0225
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