기본 정보
- CAS
165315-08-2- 표준 SMILES
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cnco2)C(C)C)co1- InChIKey
RXWAUJLGVAJOIM-XGKFQTDJSA-N- 분자식
- C37H48N6O7
- 평균 분자량
- 688.8 g/mol
- 단동위원소 질량
- 688.35844788
이름 및 식별자
- 우선 이름
- oxazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropyloxazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
- IUPAC
- 1,3-oxazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
이름 및 동의어
165315-08-22,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-oxazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-oxazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-oxazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-oxazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-SCHEMBL7092343DTXSID10937070RXWAUJLGVAJOIM-XGKFQTDJSA-Noxazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropyloxazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate(2S)-N-[(2S,4S,5S)-4-Hydroxy-5-({hydroxy[(1,3-oxazol-5-yl)methoxy]methylidene}amino)-1,6-diphenylhexan-2-yl]-2-{[hydroxy(methyl{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}amino)methylidene]amino}-3-methylbutanimidic acid(2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)valinyl)amino)-2- (N-((5-oxazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane(2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-oxazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,040
관련 반응
12건
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