(2-{2-(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin 1-yl}-1-(R)-(4-methoxybenzyl)-2-oxo-ethyl)-carbamic acid ethyl ester

HCID 69780696

기본 정보

표준 SMILES
CCOC(=O)N[C@H](Cc1ccc(OC)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1
InChIKey
CATCEAMVLJKHPY-RPWUZVMVSA-N
분자식
C28H33N5O5
평균 분자량
519.6 g/mol

이름 및 식별자

우선 이름
(2-{2-(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin 1-yl}-1-(R)-(4-methoxybenzyl)-2-oxo-ethyl)-carbamic acid ethyl ester
IUPAC
ethyl N-[(2R)-1-[(2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate

이름 및 동의어

SCHEMBL6437218CATCEAMVLJKHPY-RPWUZVMVSA-N(2-{2-(S )-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidine 1-yl}-1-(R)-(4-methoxybenzyl)-2-oxo-ethyl)-carbamic acid ethyl ester(2-{2-(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin 1-yl}-1-(R)-(4-methoxybenzyl)-2-oxo-ethyl)-carbamic acid ethyl ester(2-{2-(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-(R)-(4-methoxybenzyl)-2-oxo-ethyl)-carbamic acid ethyl ester

데이터베이스 식별자

PubChem CID
69780696

물성

구조 계산 물성

XLogP
3
극성 표면적
136 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
10
무거운 원자 수
38

관련 반응

4건

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