4-Nitrobenzyl (1R, 5S, 6S)-6-[(1R)-1-hydroxyethyl]-1-methyl-1-[(2S, 4S)-2-(1methyl-2pyrrolidinylcarbamoyl)-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-4-ylthio]-1-carbapen-2-em-3-carboxylate

HCID 56979915
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C[C@@](C)(S[C@H]3C[C@@H](C(=O)NC4CCCN4C)N(C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)[C@H]12
InChIKey
DLJHOXFLMVBUHQ-NDJMIDPBSA-N
분자식
C35H40N6O11S
평균 분자량
752.8 g/mol

이름 및 식별자

우선 이름
4-Nitrobenzyl (1R, 5S, 6S)-6-[(1R)-1-hydroxyethyl]-1-methyl-1-[(2S, 4S)-2-(1methyl-2pyrrolidinylcarbamoyl)-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-4-ylthio]-1-carbapen-2-em-3-carboxylate
IUPAC
(4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-4-[(3S,5S)-5-[(1-methylpyrrolidin-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

이름 및 동의어

DLJHOXFLMVBUHQ-NDJMIDPBSA-N4-Nitrobenzyl (1R, 5S, 6S)-6-[(1R)-1-hydroxyethyl]-1-methyl-1-[(2S, 4S)-2-(1methyl-2pyrrolidinylcarbamoyl)-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-4-ylthio]-1-carbapen-2-em-3-carboxylate

데이터베이스 식별자

PubChem CID
56979915

물성

구조 계산 물성

XLogP
3.6
극성 표면적
246 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
13
회전 가능 결합 수
12
무거운 원자 수
53

관련 반응

1건
반응 기록 만들기

화합물 노트

불러오는 중…