기본 정보
- CAS
134483-83-3- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1- InChIKey
VFXBGUYEVNSPLY-CZSVRRKHSA-N- 분자식
- C43H59N7O7
- 평균 분자량
- 786 g/mol
- 단동위원소 질량
- 785.44759725
이름 및 식별자
- 우선 이름
- 1H-Imidazole-4-propanamide, N-(2,3-dihydroxy-6-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)heptyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(1R*,2R*)))-
- IUPAC
- (2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-7-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-(2-methylpropyl)octanamide
이름 및 동의어
134483-83-3CHEMBL487701H-Imidazole-4-propanamide, N-(2,3-dihydroxy-6-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)heptyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(1R*,2R*)))-DTXSID10158748NOA-His-(R,R,R)-LLd-Ile-AmpBDBM50000758(2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-4-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isobutyl-7-methyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]octanamide(2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isobutyl-7-methyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]octanamide(2R,3R,4R,5S)-3,4-Dihydroxy-7-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-{[(pyridin-2-yl)methyl]amino}pentan-2-yl]-2-(2-methylpropyl)-5-[(N-{[(naphthalen-1-yl)oxy]acetyl}-L-histidyl)amino]octanamide1-Naphthoxyacetyl-L-histidyl-5S-amino-6-cyclohexyl-3R,4R-dihydroxy-2R-isobutyl-7-methyl-octanoyl-L-isoleucyl-2-pyridylmethylamide1H-Imidazole-4-propanamide, N-[2,3-dihydroxy-6-methyl-1-(2-methylpropyl)-4-[[[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]amino]carbonyl]heptyl]-.alpha.-[[(1-naphthalenyloxy)acetyl]amino]-, [1S-[1R*(R*),2S*,3S*,4S*(1R*,2R*)]]-
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 208 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,260
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