(2S)-6-[[(2R)-2-(tert-butoxycarbonylamino)-3-(p-tolylmethylsulfanyl)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid

HCID 508604

기본 정보

표준 SMILES
Cc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCC[C@@H](C(=O)O)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
YXRAQZKUZPISAS-VMPREFPWSA-N
분자식
C33H49N3O7S2
평균 분자량
663.9 g/mol
단동위원소 질량
663.30119326

이름 및 식별자

우선 이름
(2S)-6-[[(2R)-2-(tert-butoxycarbonylamino)-3-(p-tolylmethylsulfanyl)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
IUPAC
(2S)-6-[[(2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid

이름 및 동의어

YXRAQZKUZPISAS-VMPREFPWSA-N(2S)-6-[[(2R)-2-(tert-butoxycarbonylamino)-3-(p-tolylmethylsulfanyl)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-[N'.alpha.-tert-butoxycarbonyl-S-(4-methylbenzyl)-L-cysteinyl]-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-[N'alpha-tert-butoxycarbonyl-S-(4-methylbenzyl)-L-cysteinyl]-L-lysine

데이터베이스 식별자

PubChem CID
508604

물성

구조 계산 물성

XLogP
6.1
극성 표면적
176 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
19
무거운 원자 수
45

관련 반응

5건

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