(1R,5S,6S)-6-((1R)-1-hydroxyethyl)-1-methyl-2-[[(Z)-2-(4-(N-4-nitrobenzyloxycarbonyl-L-valyloxymethyl)thiazol-5-yl)ethen-1-yl]thio]-1-carbapen-2-em-3-carboxylic acid
기본 정보
- 표준 SMILES
CC(C)[C@H](NC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ncsc1/C=C\SC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C- InChIKey
NZDXFKIEKQGTGR-HOULNIOCSA-N- 분자식
- C29H32N4O10S2
- 평균 분자량
- 660.7 g/mol
- 단동위원소 질량
- 660.15598558
이름 및 식별자
- 우선 이름
- (1R,5S,6S)-6-((1R)-1-hydroxyethyl)-1-methyl-2-[[(Z)-2-(4-(N-4-nitrobenzyloxycarbonyl-L-valyloxymethyl)thiazol-5-yl)ethen-1-yl]thio]-1-carbapen-2-em-3-carboxylic acid
- IUPAC
- (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(Z)-2-[4-[[(2S)-3-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]butanoyl]oxymethyl]-1,3-thiazol-5-yl]ethenyl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
이름 및 동의어
NZDXFKIEKQGTGR-HOULNIOCSA-N(1R,5S,6S)-6-((1R)-1-hydroxyethyl)-1-methyl-2-[[(Z)-2-(4-(N-4-nitrobenzyloxycarbonyl-L-valyloxymethyl)thiazol-5-yl)ethen-1-yl]thio]-1-carbapen-2-em-3-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 131728010
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 255 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,220
관련 반응
2건
화합물 노트
불러오는 중…