Sankei
기본 정보
- CAS
115761-49-4- 표준 SMILES
Cc1cc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)/C(=N/OC(C)(C)C(=O)NNC(=O)c4ccc(O)c(O)c4)c4csc(N)n4)[C@H]3SC2)n2nc(C(=O)[O-])nc2n1.[Na+].[Na+]- InChIKey
JSKZWIGBDHYSGI-UCSXVCBISA-L- 분자식
- C31H27N11Na2O11S3
- 평균 분자량
- 871.8 g/mol
- 단동위원소 질량
- 871.0849028
개요
structure given in first source
이름 및 식별자
- 우선 이름
- Sankei
- IUPAC
- disodium;(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[1-[2-(3,4-dihydroxybenzoyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-3-[(2-carboxylato-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 영어명
- 7-(((-7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbaz oyl)-1-methylethoxy)imino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyc lo(4.2.0)oct-2-en-3-yl)methyl)thio-5-methyl)-(1,2,4)triazolo(1,5-1)pyr imidine-2-carboxylic acid
- 분자식
- C31H27N11Na2O11S3
- 분자량
- 871.78772
이름 및 동의어
Sankei115761-49-4SR-10247-(((-7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbazoyl)-1-methylethoxy)imino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio-5-methyl)-(1,2,4)triazolo(1,5-1)pyrimidine-2-carboxylic acidRefChem:181177SR 10245-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)((2-(2-(3,4-dihydroxybenzoyl)hydrazino)-1,1-dimethyl-2-oxoethoxy)imino)acetyl)amino)-3-(((2-carboxy-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)thio)methyl)-8-oxo-, disodium salt, (6R-(6alpha,7beta(Z)))-7-(((-7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbaz oyl)-1-methylethoxy)imino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyc lo(4.2.0)oct-2-en-3-yl)methyl)thio-5-methyl)-(1,2,4)triazolo(1,5-1)pyr imidine-2-carboxylic acid
데이터베이스 식별자
- CAS
115761-49-4
물성
구조 계산 물성
- 극성 표면적
- 411 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,660
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