기본 정보
- CAS
1181570-19-3- 표준 SMILES
CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1- InChIKey
BOEGTKLJZSQCCD-UHFFFAOYSA-N- 분자식
- C16H17N3O5S
- 평균 분자량
- 363.4 g/mol
- 단동위원소 질량
- 363.08889182
이름 및 식별자
- 우선 이름
- 7-((2-Amino-2-(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- IUPAC
- 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
이름 및 동의어
1181570-19-37-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-((2-Amino-2-(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidRefChem:310031Cefamox7-[2-amino-2-(4-hydroxyphenyl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidp-HydroxycephalexineBidocefCHEMBL1555813SCHEMBL13698957DTXSID90860610EBC-13815
이름 더 보기
NCGC00094609-01NCGC00094609-02AS-13773DB-051762EN300-235497437-(alpha-amino-4-hydroxyphenylacetamido)-3-methyl-ceph-3-em-4-carboxylic acid7-[2-Amino(4-hydroxyphenyl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
데이터베이스 식별자
- CAS
1181570-19-3- PubChem CID
- 2610
- DTXSID
DTXSID90860610- ChEMBL
CHEMBL1555813
물성
구조 계산 물성
- XLogP
- -2.1
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 629
관련 반응
2건
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