N1-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-(cyanomethyl)-N3,N3-dipropylisophthalamide

HCID 44426035

기본 정보

표준 SMILES
CCCN(CCC)C(=O)c1cc(CC#N)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)c1
InChIKey
DCBXSNBDNFBYSA-AJQTZOPKSA-N
분자식
C34H42N4O4
평균 분자량
570.7 g/mol

이름 및 식별자

우선 이름
N1-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-(cyanomethyl)-N3,N3-dipropylisophthalamide
IUPAC
5-(cyanomethyl)-1-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

이름 및 동의어

CHEMBL230190N1-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-(cyanomethyl)-N3,N3-dipropylisophthalamideN1-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-(cyanomethyl)-N3,N3-dipropylisophthalamideSCHEMBL3354354DCBXSNBDNFBYSA-AJQTZOPKSA-NBDBM50210710N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-(cyanomethyl)-N3,N3-dipropylisophthalamide

데이터베이스 식별자

PubChem CID
44426035
ChEMBL
CHEMBL230190

물성

구조 계산 물성

XLogP
4.5
극성 표면적
115 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
16
무거운 원자 수
42

관련 반응

4건

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