기본 정보
- 표준 SMILES
Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O- InChIKey
UWYHMGVUTGAWSP-UHFFFAOYSA-N- 분자식
- C19H19N3O5S
- 평균 분자량
- 401.4 g/mol
- 단동위원소 질량
- 401.10454189
개요
3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a penicillin.
이름 및 식별자
- 우선 이름
- 3,3-Dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- 3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
이름 및 동의어
3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidMPI-penicillin; MPi-PCOprea1_168564Oprea1_662776CHEMBL3305959SCHEMBL14126543CHEBI:94315DTXSID70859062EBC-97021STA013953AKOS000641644
이름 더 보기
740789-23-5SR-01000316163SR-01000316163-1BRD-A03044413-236-01-3Q271661353,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazole-4-amido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid3,3-Dimethyl-6-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 4608
- DTXSID
DTXSID70859062- ChEMBL
CHEMBL3305959- ChEBI
CHEBI:94315
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 680
실험 및 물리화학적 성질
LogP2.34
관련 반응
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