7-[2-(2-Amino-1,3-thiazol-4-yl)(methoxyimino)acetamido]-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

HCID 2657
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CSC12)c1csc(N)n1
InChIKey
VAAUVRVFOQPIGI-UHFFFAOYSA-N
분자식
C18H18N8O7S3
평균 분자량
554.6 g/mol

이름 및 식별자

우선 이름
7-[2-(2-Amino-1,3-thiazol-4-yl)(methoxyimino)acetamido]-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

이름 및 동의어

SCHEMBL5594993CHEMBL1741130DTXSID60860960NS00077528NS000964257-[2-(2-Amino-1,3-thiazol-4-yl)(methoxyimino)acetamido]-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-[2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

데이터베이스 식별자

PubChem CID
2657
DTXSID
DTXSID60860960
ChEMBL
CHEMBL1741130

물성

구조 계산 물성

XLogP
-1.3
극성 표면적
288 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
13
회전 가능 결합 수
8
무거운 원자 수
36

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