(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

HCID 5464257CAS 82547-58-8

기본 정보

표준 SMILES: CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cn3nnc(C)n3)CS[C@H]12)c1csc(N)n1
InChIKey: XSPUSVIQHBDITA-KXDGEKGBSA-N
분자식: C16H17N9O5S2
평균 분자량: 479.5 g/mol
단동위원소 질량: 479.07940664

이름 및 식별자

우선 이름: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

이름 및 동의어

(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidNCGC00183016-01Antibiotic T 2525; Cefteram; CefterameSCHEMBL151992CHEMBL2361926Tox21_113302CAS-82547-58-8NS00011584(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

데이터베이스 식별자

CAS: 82547-58-8
PubChem CID: 5464257
DTXSID: DTXSID7048821
ChEMBL: CHEMBL2361926

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 244 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 13
회전 가능 결합 수: 7
무거운 원자 수: 32
형식 전하: 0
복잡도: 871

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Antibiotics

연결된 노트

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