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

HCID 58355228

기본 정보

표준 SMILES
C=COCCn1c(C(=O)N(CC(C)C)[C@H]2C[C@@H](C(=O)N3CCOCC3)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21
InChIKey
OYPJUFXVBQCOOD-RPWUZVMVSA-N
분자식
C31H45N5O6
평균 분자량
583.7 g/mol

이름 및 식별자

우선 이름
tert-butyl(3S,5R)-3-[({1-[2-(ethenyloxy)ethyl]-1H-benzimidazol-2-yl}carbonyl)(2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
IUPAC
tert-butyl (3S,5R)-3-[[1-(2-ethenoxyethyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate

이름 및 동의어

SCHEMBL2220260OYPJUFXVBQCOOD-RPWUZVMVSA-Ntert-butyl (3S,5R)-3-[({1-[2-(ethenyloxy)ethyl]-1H-benzimidazol-2-yl}carbonyl) (2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl (3S,5R)-3-[({1-[2-(ethenyloxy)ethyl]-1H-benzimidazol-2-yl}carbonyl)(2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl(3S, 5R)-3-[({1-[2-(ethenyloxy)ethyl]-1H-benzimidazol-2-yl}carbonyl)(2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl(3S,5R)-3-[({1-[2-(ethenyloxy)ethyl]-1H-benzimidazol-2-yl}carbonyl)(2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate

데이터베이스 식별자

PubChem CID
58355228

물성

구조 계산 물성

XLogP
3.3
극성 표면적
106 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
11
무거운 원자 수
42

관련 반응

8건

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