(2S)-6-[[2-[(2,3-dimethoxyphenyl)methylamino]acetyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid

HCID 508628

기본 정보

표준 SMILES
COc1cccc(CNCC(=O)NCCCC[C@@H](C(=O)O)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c1OC
InChIKey
SUNQWHFJNJJFDL-DEOSSOPVSA-N
분자식
C28H41N3O7S
평균 분자량
563.7 g/mol

이름 및 식별자

우선 이름
(2S)-6-[[2-[(2,3-dimethoxyphenyl)methylamino]acetyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
IUPAC
(2S)-6-[[2-[(2,3-dimethoxyphenyl)methylamino]acetyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid

이름 및 동의어

SUNQWHFJNJJFDL-DEOSSOPVSA-N(2S)-6-[[2-[(2,3-dimethoxyphenyl)methylamino]acetyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-[N'.alpha.-(2,3-dimethoxybenzyl)glycyl]-L-lysineNalpha-Isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-[N'alpha-(2,3-dimethoxybenzyl) glycyl]-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-[N'alpha-(2,3-dimethoxybenzyl)glycyl]-L-lysine

데이터베이스 식별자

PubChem CID
508628

물성

구조 계산 물성

XLogP
1.5
극성 표면적
143 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
17
무거운 원자 수
39

관련 반응

5건

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