(3S,4R)-3-hydroxy-4-((S)-2-{(S)-2-[((E)-(R)-1-hydroxy-5-tritylsulfanyl-pent-2-enylcarbamoyl)-methyl]-3-phenyl-propionylamino}-3-tritylsulfanyl-propionylamino)-5-methyl-hexanoic acid
기본 정보
- 표준 SMILES
CC(C)[C@@H](NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](CC(=O)N[C@H](O)/C=C/CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1)[C@@H](O)CC(=O)O- InChIKey
WFZNIAKHJVVPJO-HYADPBDDSA-N- 분자식
- C64H67N3O7S2
- 평균 분자량
- 1,054.4 g/mol
- 단동위원소 질량
- 1,053.44204383
이름 및 식별자
- 우선 이름
- (3S,4R)-3-hydroxy-4-((S)-2-{(S)-2-[((E)-(R)-1-hydroxy-5-tritylsulfanyl-pent-2-enylcarbamoyl)-methyl]-3-phenyl-propionylamino}-3-tritylsulfanyl-propionylamino)-5-methyl-hexanoic acid
- IUPAC
- (3S,4R)-4-[[(2S)-2-[[(2S)-2-benzyl-4-[[(E,1R)-1-hydroxy-5-tritylsulfanylpent-2-enyl]amino]-4-oxobutanoyl]amino]-3-tritylsulfanylpropanoyl]amino]-3-hydroxy-5-methylhexanoic acid
이름 및 동의어
SCHEMBL3039998WFZNIAKHJVVPJO-HYADPBDDSA-N(3S,4R)-3-hydroxy-4-((S)-2-{(S)-2-[((E)-(R)-1-hydroxy-5-tritylsulfanyl-pent-2-enylcarbamoyl)-methyl]-3-phenyl-propionylamino}-3-tritylsulfanyl-propionylamino)-5-methyl-hexanoic acid
데이터베이스 식별자
- PubChem CID
- 86639715
물성
구조 계산 물성
- XLogP
- 11.2
- 극성 표면적
- 216 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 76
- 형식 전하
- 0
- 복잡도
- 1,660
관련 반응
1건
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