(1S,5S)-{1-[5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-(diethoxy-phosphoryloxy)-hexylcarbamoyl]-2,2-diphenyl-ethyl}-carbamic acid methyl ester

HCID 24778259

기본 정보

표준 SMILES
CCOP(=O)(OCC)OC[C@H](CCCCNC(=O)[C@@H](NC(=O)OC)C(c1ccccc1)c1ccccc1)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1
InChIKey
AYTWOABXOXDOTR-SHUZPENHSA-N
분자식
C37H53N4O9PS
평균 분자량
760.9 g/mol

이름 및 식별자

우선 이름
(1S,5S)-{1-[5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-(diethoxy-phosphoryloxy)-hexylcarbamoyl]-2,2-diphenyl-ethyl}-carbamic acid methyl ester
IUPAC
methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-diethoxyphosphoryloxyhexyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

이름 및 동의어

SCHEMBL757694AYTWOABXOXDOTR-SHUZPENHSA-N(1S,5S)-{1-[5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-(diethoxy-phosphoryloxy)-hexylcarbamoyl]-2,2-diphenyl-ethyl}-carbamic acid methyl ester(1S,5S)-{1-[5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-(diethoxy-phosphoryloxy)-hexylcarbarnoyl]-2,2-diphenyl-ethyl}-carbamic acid methyl ester

데이터베이스 식별자

PubChem CID
24778259

물성

구조 계산 물성

XLogP
5.4
극성 표면적
184 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
11
회전 가능 결합 수
23
무거운 원자 수
52

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8건

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