7beta-{alpha-ethoxyimino-[2-(chloroacetamido)thiazol-4-yl]acetamido}-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid benzhydryl ester

HCID 178474906

기본 정보

표준 SMILES
CCON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C(C)Sc3nnn[nH]3)CS[C@H]12)c1csc(NC(=O)CCl)n1
InChIKey
WUTHZLUWSUUEAE-IXRMZAABSA-N
분자식
C32H30ClN9O6S3
평균 분자량
768.3 g/mol
단동위원소 질량
767.1169709

이름 및 식별자

우선 이름
7beta-{alpha-ethoxyimino-[2-(chloroacetamido)thiazol-4-yl]acetamido}-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid benzhydryl ester
IUPAC
benzhydryl (6R,7R)-7-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-ethoxyiminoacetyl]amino]-8-oxo-3-[1-(2H-tetrazol-5-ylsulfanyl)ethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

이름 및 동의어

WUTHZLUWSUUEAE-IXRMZAABSA-N7beta-{alpha-ethoxyimino-[2-(chloroacetamido)thiazol-4-yl]acetamido}-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid benzhydryl ester7beta{alpha-ethoxyimino-[2-(chloroacetamido)thiazol-4-yl]acetamido}-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid benzhydryl ester

데이터베이스 식별자

PubChem CID
131711141

물성

구조 계산 물성

XLogP
4.8
극성 표면적
273 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
14
회전 가능 결합 수
15
무거운 원자 수
51

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8건

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