(2S,4S)-2-{4-[2-(4-Nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl}-4-(4-methoxybenzylthio)-1-(4-nitrobenzyloxycarbonyl)pyrrolidine (HCID 57120790)

기본 정보

표준 SMILES: COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CCN(CCOC(=O)OCc4ccc([N+](=O)[O-])cc4)CC3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1
InChIKey: NDHIPZMXHSETDS-ACHIHNKUSA-N
분자식: C35H39N5O11S
평균 분자량: 737.8 g/mol

이름 및 식별자

우선 이름: (2S,4S)-2-{4-[2-(4-Nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl}-4-(4-methoxybenzylthio)-1-(4-nitrobenzyloxycarbonyl)pyrrolidine
IUPAC: (4-nitrophenyl)methyl (2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-2-[4-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate

이름 및 동의어

SCHEMBL8537216NDHIPZMXHSETDS-ACHIHNKUSA-N(2S,4S)-2-{4-[2-(4-Nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl}-4-(4-methoxybenzylthio)-1-(4-nitrobenzyloxycarbonyl)pyrrolidine(2S,4S)-4-(4-methoxybenzylthio)-2-{4-[2-(4-nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl}-1-(4-nitrobenzyloxycarbonyl)pyrrolidine

데이터베이스 식별자

PubChem CID: 57120790

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 215 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 13
회전 가능 결합 수: 15
무거운 원자 수: 52
형식 전하: 0
복잡도: 1,190

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