(3S)-4-[[1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]amino]-3-[[(phenylmethyl)sulfonyl]amino]-4-oxo-butanoic acid 1,1-dimethylethylester hydrochloride

HCID 69780956
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC(Cc1ccc2c(N)nccc2c1)C(=O)N1CCCCC1.Cl
InChIKey
SHYQASWYIJQAHU-DDXKXVGSSA-N
분자식
C32H42ClN5O6S
평균 분자량
660.2 g/mol
단동위원소 질량
659.2544329

이름 및 식별자

우선 이름
(3S)-4-[[1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]amino]-3-[[(phenylmethyl)sulfonyl]amino]-4-oxo-butanoic acid 1,1-dimethylethylester hydrochloride
IUPAC
tert-butyl (3S)-4-[[3-(1-aminoisoquinolin-6-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-(benzylsulfonylamino)-4-oxobutanoate;hydrochloride

이름 및 동의어

(3S)-4-[[1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]amino]-3-[[(phenylmethyl)sulfonyl]amino]-4-oxo-butanoic acid 1,1-dimethylethylester hydrochloride(3S)-4-[[1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl]ethyl]amino]-3-[[(phenylmethyl)sulfonyl]amino]-4-oxo-butanoic acid 1,1-dimethylethylester hydrochlorideSCHEMBL6438207SHYQASWYIJQAHU-DDXKXVGSSA-N(3S)-4-[[-1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]amino]-3-[[(phenylmethyl)sulfonyl]amino]-4-oxo-butanoic acid 1,1-dimethylethylester hydrochloride

데이터베이스 식별자

PubChem CID
69780956

물성

구조 계산 물성

극성 표면적
169 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
9
회전 가능 결합 수
13
무거운 원자 수
45

관련 반응

3건
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