Cryptophycin 3

HCID 10077879

기본 정보

CAS
124689-64-1
표준 SMILES
COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
InChIKey
QLGFKEFRTAOKJU-XVUNPSCXSA-N
분자식
C35H43ClN2O7
평균 분자량
639.2 g/mol
단동위원소 질량
638.2758794

개요

Cryptophycin 3 has been reported in Nostoc with data available.

이름 및 식별자

우선 이름
Cryptophycin 3
IUPAC
(3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

이름 및 동의어

Cryptophycin 3DTXSID301046153(3S,6R,10R,13E,16S)-10-((3-chloro-4-methoxyphenyl)methyl)-6-methyl-3-(2-methylpropyl)-16-((E,2R)-4-phenylbut-3-en-2-yl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone(3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetroneRefChem:128623DTXCID701766812CHEMBL13529SCHEMBL29364369SCHEMBL29689181QLGFKEFRTAOKJU-XVUNPSCXSA-N

데이터베이스 식별자

CAS
124689-64-1
PubChem CID
10077879
DTXSID
DTXSID301046153
ChEMBL
CHEMBL13529

물성

구조 계산 물성

XLogP
7.1
극성 표면적
120 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
45

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27건

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