기본 정보
- CAS
402957-78-2- 표준 SMILES
CCCC(NC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCC(=O)OC)C(C)C)C(C)C)C(=O)C(=O)NC1CC1- InChIKey
LFMBRHPFQYZPEC-MIIJRMAJSA-N- 분자식
- C41H60N6O10
- 평균 분자량
- 796.9 g/mol
- 단동위원소 질량
- 796.43709213
이름 및 식별자
- 우선 이름
- L-prolinamide, N-(6-methoxy-1,6-dioxohexyl)-L-valyl-L-valyl-N-[1-[2-(cyclopropylamino)-1,2-dioxoethyl]butyl]-4-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]-, (4R)-
- IUPAC
- [(3R,5S)-5-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-1-[(2S)-2-[[(2S)-2-[(6-methoxy-6-oxohexanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
이름 및 동의어
L-prolinamide, N-(6-methoxy-1,6-dioxohexyl)-L-valyl-L-valyl-N-[1-[2-(cyclopropylamino)-1,2-dioxoethyl]butyl]-4-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]-, (4R)-402957-78-2SCHEMBL418354DTXSID20349281[(3R,5S)-5-[1-[2-(cyclopropylamino)-2-oxo-acetyl]butylcarbamoyl]-1-[(2S)-2-[[(2S)-2-[(6-methoxy-6-oxo-hexanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylateL-Prolinamide, N-(6-methoxy-1,6-dioxohexyl)-L-valyl-L-valyl-N-[1-[(cyclopropylamino)oxoacetyl]butyl]-4-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]-, (4R)- (9CI)N-(6-Methoxy-6-oxohexanoyl)-L-valyl-L-valyl-(4R)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-[(3,4-dihydroisoquinoline-2(1H)-carbonyl)oxy]-L-prolinamide
데이터베이스 식별자
- CAS
402957-78-2- PubChem CID
- 644125
- DTXSID
DTXSID20349281
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 210 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,470
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