기본 정보
- 표준 SMILES
COC(=O)[C@H](C)CN=C(O)[C@H](Cc1ccc(OC)c(Cl)c1)N=C(O)/C=C/C[C@H](O)[C@H](C)[C@@H](O)[C@@H](O)c1ccccc1- InChIKey
VIMVAIVZDDHRDJ-ZTTOAXQJSA-N- 분자식
- C30H39ClN2O8
- 평균 분자량
- 591.1 g/mol
- 단동위원소 질량
- 590.23949389
개요
Cryptophycin F is a peptide.
이름 및 식별자
- 우선 이름
- Cryptophycin F
- IUPAC
- methyl (2R)-3-[[(2S)-3-(3-chloro-4-methoxyphenyl)-2-[[(E,5S,6S,7R,8S)-5,7,8-trihydroxy-6-methyl-8-phenyloct-2-enoyl]amino]propanoyl]amino]-2-methylpropanoate
이름 및 동의어
Cryptophycin Fmethyl (2R)-3-[[(2S)-3-(3-chloro-4-methoxyphenyl)-2-[[(E,5S,6S,7R,8S)-5,7,8-trihydroxy-6-methyl-8-phenyloct-2-enoyl]amino]propanoyl]amino]-2-methylpropanoatemethyl (2R)-3-(((2R)-3-(3-chloro-4-methoxyphenyl)-2-(((E)-4-((2S,3R,4R,5S)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl)but-2-enoyl)amino)propanoyl)amino)-2-methylpropanoatemethyl (2R)-3-(((2S)-3-(3-chloro-4-methoxyphenyl)-2-(((E,5S,6S,7R,8S)-5,7,8-trihydroxy-6-methyl-8-phenyloct-2-enoyl)amino)propanoyl)amino)-2-methylpropanoatemethyl (2R)-3-[[(2R)-3-(3-chloro-4-methoxyphenyl)-2-[[(E)-4-[(2S,3R,4R,5S)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enoyl]amino]propanoyl]amino]-2-methylpropanoateRefChem:128641Cryptophycin F methyl ester, Cryptophycin 6CHEBI:213853
데이터베이스 식별자
- ChEBI
CHEBI:213853
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 852
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