Ethyl trans(+/-)-2-(3-{[(benzyloxy)carbonyl]amino}-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}piperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate

HCID 86648553

기본 정보

표준 SMILES
CCOC(=O)c1sc(N2CC[C@@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](NC(=O)OCc3ccccc3)C2)nc1C
InChIKey
DVSHRAXNBIAJDB-RTBURBONSA-N
분자식
C26H31ClN6O5S
평균 분자량
575.1 g/mol

이름 및 식별자

우선 이름
Ethyl trans(+/-)-2-(3-{[(benzyloxy)carbonyl]amino}-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}piperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
IUPAC
ethyl 2-[(3R,4R)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(phenylmethoxycarbonylamino)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

이름 및 동의어

DVSHRAXNBIAJDB-RTBURBONSA-NEthyl trans(+/-)-2-(3-{[(benzyloxy)carbonyl]amino}-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}piperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate

데이터베이스 식별자

PubChem CID
86648553

물성

구조 계산 물성

XLogP
5.1
극성 표면적
167 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
11
무거운 원자 수
39

관련 반응

4건

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