3(S)-[1-(4'-cyanobiphenyl-4-yl)-1H-pyrrol-3-yl]-N-(4,4-dimethyl-2-oxo-tetrahydrofuran-3(S)-yl)succinamic acid benzyl ester

HCID 59932685

기본 정보

표준 SMILES
CC1(C)COC(=O)[C@H]1NC(=O)[C@@H](CC(=O)OCc1ccccc1)c1ccn(-c2ccc(-c3ccc(C#N)cc3)cc2)c1
InChIKey
ZDMCDLRBNNHRKM-IGYGKHONSA-N
분자식
C34H31N3O5
평균 분자량
561.6 g/mol

이름 및 식별자

우선 이름
3(S)-[1-(4'-cyanobiphenyl-4-yl)-1H-pyrrol-3-yl]-N-(4,4-dimethyl-2-oxo-tetrahydrofuran-3(S)-yl)succinamic acid benzyl ester
IUPAC
benzyl (3S)-3-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]-4-[[(3S)-4,4-dimethyl-2-oxooxolan-3-yl]amino]-4-oxobutanoate

이름 및 동의어

SCHEMBL7452067ZDMCDLRBNNHRKM-IGYGKHONSA-N3(S)-[1-(4'-cyanobiphenyl-4-yl)-1H-pyrrol-3-yl]-N-(4, 4-dimethyl-2-oxo-tetrahydrofuran-3 (S)-yl)succinamic acid benzyl ester3(S)-[1-(4'-cyanobiphenyl-4-yl)-1H-pyrrol-3-yl]-N-(4,4-dimethyl-2-oxo-tetrahydrofuran-3(S)-yl)succinamic acid benzyl ester3(S)-[1-(4'-cyanobiphenyl4-yl)-1H-pyrrol-3-yl]-N-(4,4-dimethyl-2-oxo-tetrahydrofuran-3(S)-yl)succinamic acid benzyl ester

데이터베이스 식별자

PubChem CID
59932685

물성

구조 계산 물성

XLogP
5.2
극성 표면적
110 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
42

관련 반응

7건

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