Allyl (1R,5S,6S)-6-((1R)-1-hydroxyethyl)-1-methyl-2-[[(Z)-2-(4-(N-4-nitrobenzyloxycarbonyl-L-valinyloxy-methyl)thiazol-5-yl)ethen-1-yl]thio]-1-carbapen-2-em-3-carboxylate
기본 정보
- 표준 SMILES
C=CCOC(=O)C1=C(S/C=C\c2scnc2COC(=O)[C@@H](NC(=O)OCc2ccc([N+](=O)[O-])cc2)C(C)C)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12- InChIKey
MCKSGSXGLZJBLC-JGEWYQPUSA-N- 분자식
- C32H36N4O10S2
- 평균 분자량
- 700.8 g/mol
이름 및 식별자
- 우선 이름
- Allyl (1R,5S,6S)-6-((1R)-1-hydroxyethyl)-1-methyl-2-[[(Z)-2-(4-(N-4-nitrobenzyloxycarbonyl-L-valinyloxy-methyl)thiazol-5-yl)ethen-1-yl]thio]-1-carbapen-2-em-3-carboxylate
- IUPAC
- prop-2-enyl (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-carboxylate
이름 및 동의어
MCKSGSXGLZJBLC-JGEWYQPUSA-NAllyl (1R,5S,6S)-6-((1R)-1-hydroxyethyl)-1-methyl-2-[[(Z)-2-(4-(N-4-nitrobenzyloxycarbonyl-L-valinyloxy-methyl)thiazol-5-yl)ethen-1-yl]thio]-1-carbapen-2-em-3-carboxylateallyl (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-carboxylate
데이터베이스 식별자
- PubChem CID
- 131728009
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 244 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,300
관련 반응
4건
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