(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoic acid
기본 정보
- CAS
60117-18-2- 표준 SMILES
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O- InChIKey
YXVXEONTDCBORX-PEZVSODSSA-N- 분자식
- C31H42N6O9S
- 평균 분자량
- 674.8 g/mol
- 단동위원소 질량
- 674.27339811
이름 및 식별자
- 우선 이름
- (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoic acid
- IUPAC
- (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoic acid
이름 및 동의어
CHEMBL1420460117-18-2DTXSID60472582BDBM50027410(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoic acidL-Tyrosylglycylglycyl-L-phenylalanyl-L-methionyl-L-threonine2-(1-{1-[1-amino-2-(4-hydroxyphenyl)ethylcarboxamidomethylcarboxamidomethylcarboxamido]-2-phenylethylcarboxamido}-3-methylsulfanylpropylcarboxamido)-3-hydroxy-(3R)-butanoic acid
데이터베이스 식별자
- CAS
60117-18-2- PubChem CID
- 11787240
- DTXSID
DTXSID60472582- ChEMBL
CHEMBL14204
물성
구조 계산 물성
- XLogP
- -3
- 극성 표면적
- 275 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,050
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