7-{1-[1-hydroxymethyl-4-(7-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-isoquinolin-3-yl}-4,7-diaza-spiro[2.5]octane-4-carboxylic acid tert-butyl ester

HCID 71014636

기본 정보

표준 SMILES
Cc1cccc2c(C3=C(c4nc(N5CCN(C(=O)OC(C)(C)C)C6(CC6)C5)cc5ccccc45)C(=O)N(CO)C3=O)c[nH]c12
InChIKey
XCTGIZPCAIINIH-UHFFFAOYSA-N
분자식
C34H35N5O5
평균 분자량
593.7 g/mol

이름 및 식별자

우선 이름
7-{1-[1-hydroxymethyl-4-(7-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-isoquinolin-3-yl}-4,7-diaza-spiro[2.5]octane-4-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 7-[1-[1-(hydroxymethyl)-4-(7-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]isoquinolin-3-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate

이름 및 동의어

SCHEMBL13858966XCTGIZPCAIINIH-UHFFFAOYSA-N7-{1-[1-hydroxymethyl-4-(7-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-isoquinolin-3-yl}-4,7-diaza-spiro[2.5]octane-4-carboxylic acid tert-butyl ester7-{1-[1-Hydroxymethyl-4-(7-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]isoquinolin-3-yl}-4,7-diaza-spiro[2.5]octane-4-carboxylic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
71014636

물성

구조 계산 물성

XLogP
4.9
극성 표면적
119 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
44

관련 반응

6건

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