기본 정보
- 표준 SMILES
CC(C)CN(C(=O)c1nc2ccccc2n1CCn1cccn1)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1- InChIKey
LIYJBZOOGUADQW-RPBOFIJWSA-N- 분자식
- C32H45N7O5
- 평균 분자량
- 607.7 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl(3S,5R)-3-[(2-methylpropyl)({1-[2-(1H-pyrazol-1-yl)ethyl]-1H-benzimidazol-2-yl}carbonyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S,5R)-3-[2-methylpropyl-[1-(2-pyrazol-1-ylethyl)benzimidazole-2-carbonyl]amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
이름 및 동의어
SCHEMBL3494554LIYJBZOOGUADQW-RPBOFIJWSA-Ntert-butyl (3S,5R)-3-[(2-methylpropyl) ({1-[2-(1H-pyrazol-1-yl)ethyl]-1H-benzimidazol-2-yl}carbonyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl (3S,5R)-3-[(2-methylpropyl)({1-[2-(1H-pyrazol-1-yl)ethyl]-1H-benzimidazol-2-yl}carbonyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl(3S, 5R)-3-[(2-methylpropyl)({1-[2-(1H-pyrazol-1-yl)ethyl]-1H-benzimidazol-2-yl}carbonyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl(3S,5R)-3-[(2-methylpropyl)({1-[2-(1H-pyrazol-1-yl)ethyl]-1H-benzimidazol-2-yl}carbonyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 58355202
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,000
관련 반응
3건
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