기본 정보
- CAS
162540-10-5- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCCc2nc3ccccc3o2)cc1)NC(=O)OC(C)(C)C- InChIKey
SYMCBBYJOYFSNB-PSWJWLENSA-N- 분자식
- C40H54N4O8
- 평균 분자량
- 718.9 g/mol
- 단동위원소 질량
- 718.39416469
이름 및 식별자
- 우선 이름
- 12-Oxa-2,6,10-triazatetradecanoic acid, 3-((4-(3-(2-benzoxazolyl)propoxy)phenyl)methyl)-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
- IUPAC
- tert-butyl N-[(2S,3R)-1-[4-[3-(1,3-benzoxazol-2-yl)propoxy]phenyl]-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]butan-2-yl]carbamate
이름 및 동의어
162540-10-512-Oxa-2,6,10-triazatetradecanoic acid, 3-((4-(3-(2-benzoxazolyl)propoxy)phenyl)methyl)-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-DTXSID30167397(1R,2S(2S,3R))-N-(3-((3-(((1,1-Dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-hydroxy-1-(phenylmethyl)propyl)-N2-((phenylmethoxy)carbonyl)-L-alaninamide12-Oxa-2,6,10-triazatetradecanoic acid, 3-[[4-[3-(2-benzoxazolyl)propoxy]phenyl]methyl]-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-RefChem:236412DTXCID2089888BDBM689CHEMBL301401[1R*,2S*(2S*,3R*)]-N-[3-[[3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-hydroxy-1-(phenylmethyl)propyl]-N2-[(phenylmethoxy)carbonyl]-L-alaninamidetert-Butyl [(2S,3R)-4-({(2R,3S)-4-{4-[3-(1,3-benzoxazol-2-yl)propoxy]phenyl}-3-[(tert-butoxycarbonyl)amino]-2-hydroxybutyl}amino)-3-hydroxy-1-phenylbutan-2-yl]carbamatetert-butyl N-[(1S,2R)-3-[[(2R,3S)-4-[4-[3-(1,3-benzoxazol-2-yl)propoxy]phenyl]-3-(tert-butoxycarbonylamino)-2-hydroxy-butyl]amino]-1-benzyl-2-hydroxy-propyl]carbamate
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 164 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,050
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