tert-butyl (3S,5R)-3-{(2-methylpropyl) {{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate

HCID 58355355

기본 정보

표준 SMILES
CC(C)CN(C(=O)c1nc2ccccc2n1CCc1cccs1)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1
InChIKey
WCYZNQNYHVXZLG-RPBOFIJWSA-N
분자식
C33H45N5O5S
평균 분자량
623.8 g/mol
단동위원소 질량
623.31414073

이름 및 식별자

우선 이름
tert-butyl (3S,5R)-3-{(2-methylpropyl) {{1-(2-(thiophen-2-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-thiophen-2-ylethyl)benzimidazole-2-carbonyl]amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate

이름 및 동의어

tert-butyl (3S,5R)-3-{(2-methylpropyl){{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl (3S,5R)-3-{(2-methylpropyl){{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylateSCHEMBL2215471WCYZNQNYHVXZLG-RPBOFIJWSA-Ntert-butyl (3S,5R)-3-{(2-methylpropyl) {{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate

데이터베이스 식별자

PubChem CID
58355355

물성

구조 계산 물성

XLogP
4.3
극성 표면적
125 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
10
무거운 원자 수
44

관련 반응

4건

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