tert-Butyl cis(+/-)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(1-ethylpropyl)amino]piperidine-1-carboxylate tert-Butyl trans(+/-)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(1-ethylpropyl)amino]piperidine-1-carboxylate (HCID 131730875)

기본 정보

표준 SMILES: CCc1[nH]c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2NC(CC)CC)nc1Cl.CCc1[nH]c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2NC(CC)CC)nc1Cl
InChIKey: JPSGJBYJWMVDKZ-WTCOSJCKSA-N
분자식: C42H72Cl2N10O6
평균 분자량: 884 g/mol

이름 및 식별자

우선 이름: tert-Butyl cis(+/-)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(1-ethylpropyl)amino]piperidine-1-carboxylate tert-Butyl trans(+/-)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(1-ethylpropyl)amino]piperidine-1-carboxylate
IUPAC: tert-butyl (3R,4R)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(pentan-3-ylamino)piperidine-1-carboxylate;tert-butyl (3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(pentan-3-ylamino)piperidine-1-carboxylate

이름 및 동의어

JPSGJBYJWMVDKZ-WTCOSJCKSA-Ntert-Butyl cis(+/-)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(1-ethylpropyl)amino]piperidine-1-carboxylate tert-Butyl trans(+/-)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(1-ethylpropyl)amino]piperidine-1-carboxylate

데이터베이스 식별자

PubChem CID: 131730875

물성

구조 계산 물성

극성 표면적: 199 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 10
회전 가능 결합 수: 18
무거운 원자 수: 60
형식 전하: 0
복잡도: 581

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