(2S)-6-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]-3-phenyl-propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
기본 정보
- 표준 SMILES
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)OC(C)(C)C)C(=O)O)cc1- InChIKey
KYUQSPIELIDPSC-NSOVKSMOSA-N- 분자식
- C32H47N3O7S
- 평균 분자량
- 617.8 g/mol
- 단동위원소 질량
- 617.31347202
이름 및 식별자
- 우선 이름
- (2S)-6-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]-3-phenyl-propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
- IUPAC
- (2S)-6-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid
이름 및 동의어
KYUQSPIELIDPSC-NSOVKSMOSA-N(2S)-6-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]-3-phenyl-propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-(N'.alpha.-tert-butoxycarbonyl-N'.alpha.-methyl-L-phenylalanyl)-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-(N'alpha-tert-butoxycarbonyl-N'alpha-methyl-L-phenylalanyl)-L-lysine
데이터베이스 식별자
- PubChem CID
- 508602
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 991
관련 반응
5건
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