3-[(Acetyloxy)methyl]-7-[[2-[4-(azidomethyl)phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

HCID 22767758

기본 정보

표준 SMILES
CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3ccc(CN=[N+]=[N-])cc3)C2SC1
InChIKey
BLIKMPPUNZMDAF-UHFFFAOYSA-N
분자식
C19H19N5O6S
평균 분자량
445.5 g/mol

이름 및 식별자

우선 이름
3-[(Acetyloxy)methyl]-7-[[2-[4-(azidomethyl)phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
3-(acetyloxymethyl)-7-[[2-[4-(azidomethyl)phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

이름 및 동의어

3-[(acetyloxy)methyl]-7-[[2-[4-(azidomethyl)phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid3-[(acetyloxy)methyl]-7-[[2-[4-(azidomethyl]phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidBLIKMPPUNZMDAF-UHFFFAOYSA-N3-[(acetyloxy)-methyl]-7-[[2-[4-(azidomethyl]phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid3-[(acetyloxy)methyl]-7-[[2-[4-(azidomethyl)phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid3-[(Acetyloxy)methyl]-7-[[2-[4-(azidomethyl)phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2carboxylic acid

데이터베이스 식별자

PubChem CID
22767758

물성

구조 계산 물성

XLogP
1.1
극성 표면적
153 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
9
무거운 원자 수
31

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9건

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