(2S)-N-[1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]-4-(4-morpholinyl)-4-oxo-2-[(4-methoxy-2,3,6-trimethylphenylsulfonyl)amino]butanamide hydrochloride (HCID 86758416)

기본 정보

표준 SMILES: COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)N2CCOCC2)C(=O)NC(Cc2ccc3c(N)nccc3c2)C(=O)N2CCCCC2)c(C)c1C.Cl
InChIKey: WJLBJUYLCLTCNE-MKSHZDIXSA-N
분자식: C35H47ClN6O7S
평균 분자량: 731.3 g/mol
단동위원소 질량: 730.2915467

이름 및 식별자

우선 이름: (2S)-N-[1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]-4-(4-morpholinyl)-4-oxo-2-[(4-methoxy-2,3,6-trimethylphenylsulfonyl)amino]butanamide hydrochloride
IUPAC: (2S)-N-[3-(1-aminoisoquinolin-6-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride

이름 및 동의어

SCHEMBL6441358WJLBJUYLCLTCNE-MKSHZDIXSA-N(2S)-N-[1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]-4(4-morpholinyl)-4-oxo-2-[(4-methoxy-2,3,6-trimethylphenylsulfonyl)amino]butanamide hydrochloride(2S)-N-[1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]-4-(4-morpholinyl)-4-oxo-2-[(4-methoxy-2,3,6-trimethylphenylsulfonyl)amino]butanamide hydrochloride

데이터베이스 식별자

PubChem CID: 86758416

물성

구조 계산 물성

극성 표면적: 182 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 10
회전 가능 결합 수: 11
무거운 원자 수: 50
형식 전하: 0
복잡도: 1,240

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