Cryptophycin 50

HCID 10722801

노트 반응

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기본 정보

표준 SMILES: CCC[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
InChIKey: KBYSXVZAIWIWEC-WOFDPGDDSA-N
분자식: C34H41ClN2O8
평균 분자량: 641.1 g/mol

개요

Cryptophycin-50 is a peptide.

이름 및 식별자

우선 이름: Cryptophycin 50
IUPAC: (3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-3-propyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

이름 및 동의어

Cryptophycin-50Cryptophycin 50RefChem:128632(3S,6R,10R,16S,E)-10-(3-chloro-4-methoxybenzyl)-6-methyl-16-((S)-1-((2R,3R)-3-phenyloxiran-2-yl)ethyl)-3-propyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetraone(3S,6R,10R,13E,16S)-10-((3-chloro-4-methoxyphenyl)methyl)-6-methyl-16-((E,2R)-4-phenylbut-3-en-2-yl)-3-propyl-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-16-[(E,2R)-4-phenylbut-3-en-2-yl]-3-propyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetroneCryptophycin 49SCHEMBL29884899CHEBI:212683KBYSXVZAIWIWEC-WOFDPGDDSA-N(3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-3-propyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

데이터베이스 식별자

PubChem CID: 10722801
ChEBI: CHEBI:212683

물성

구조 계산 물성

XLogP: 5.7
극성 표면적: 133 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 8
무거운 원자 수: 45
형식 전하: 0
복잡도: 1,050

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