N-[1-benzyloxycarbonyl-2-(1H-indol-3-yl)-ethyl]-3-[2-(diethoxy-phosphoryl)4-phenyl-butyrylamino]-succinamic acid benzyl ester

HCID 87735201

기본 정보

표준 SMILES
CCOP(=O)(OCC)C(CCc1ccccc1)C(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
InChIKey
AQNQWARRZQFNEH-UHFFFAOYSA-N
분자식
C43H48N3O9P
평균 분자량
781.8 g/mol

이름 및 식별자

우선 이름
N-[1-benzyloxycarbonyl-2-(1H-indol-3-yl)-ethyl]-3-[2-(diethoxy-phosphoryl)4-phenyl-butyrylamino]-succinamic acid benzyl ester
IUPAC
benzyl 3-[(2-diethoxyphosphoryl-4-phenylbutanoyl)amino]-4-[[3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate

이름 및 동의어

SCHEMBL4837383AQNQWARRZQFNEH-UHFFFAOYSA-Nn-[1'-benzyloxycarbonyl-2-(1h-indol-3-yl)-ethyl]-3-[2-(diethoxy-phosphoryl)-4-phenyl-butyrylamino]-succinamic acid benzyl estern-[1-benzyloxycarbonyl-2-(1h-indol-3-yl)-ethyl]-3-[2-(diethoxy-phosphoryl)-4-phenyl-butyrylamino]-succinamic acid benzyl esterN-[1-benzyloxycarbonyl-2-(1H-indol-3-yl)-ethyl]-3-[2-(diethoxy-phosphoryl)4-phenyl-butyrylamino]-succinamic acid benzyl ester

데이터베이스 식별자

PubChem CID
87735201

물성

구조 계산 물성

XLogP
6.1
극성 표면적
162 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
23
무거운 원자 수
56

관련 반응

4건

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