Cryptophycin 16
기본 정보
- CAS
169181-93-5- 표준 SMILES
CC(C)C[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O- InChIKey
JPWBUGOVDPESSU-RNGXCZKDSA-N- 분자식
- C34H41ClN2O8
- 평균 분자량
- 641.1 g/mol
- 단동위원소 질량
- 640.255144
개요
Cryptophycin-16 is a peptide.
이름 및 식별자
- 우선 이름
- Cryptophycin 16
- IUPAC
- (3S,6R,10R,13E,16S)-10-[(3-chloro-4-hydroxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
이름 및 동의어
Cryptophycin-16Cryptophycin 16(3S,6R,10R,13E,16S)-10-[(3-chloro-4-hydroxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone(3S,10R,13E,16S)-10-((3-chloro-4-methoxyphenyl)methyl)-3-(2-methylpropyl)-16-((1S)-1-((2R,3R)-3-phenyloxiran-2-yl)ethyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone(3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone(3S,6R,10R,13E,16S)-10-((3-chloro-4-hydroxyphenyl)methyl)-6-methyl-3-(2-methylpropyl)-16-((1S)-1-((2R,3R)-3-phenyloxiran-2-yl)ethyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetroneRefChem:128616CHEBI:211110DTXSID101046676169181-93-5
데이터베이스 식별자
- CAS
169181-93-5- PubChem CID
- 10604177
- DTXSID
DTXSID101046676- ChEMBL
CHEMBL502895- ChEBI
CHEBI:211110
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,060
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