Basic information
- CAS
136419-12-0- Standard SMILES
CC[C@H](C)C(NC(=O)[C@@H](C[C@H](O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1- InChIKey
VIIORGGCTLITHW-YBHXHPRFSA-N- Molecular formula
- C45H61N7O6
- Average molar mass
- 796 g/mol
- Monoisotopic mass
- 795.46833269
Names & identifiers
- Preferred name
- Noa-His-CVA-Ile-Amp
- IUPAC
- (2S,4S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-N-[(3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
Names & synonyms
Noa-His-CVA-Ile-Amp136419-12-01H-Imidazole-4-propanamide, N-(1-(cyclohexylmethyl)-2-hydroxy-5-methyl-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2R*,4R*(1R*,2R*)))-DTXSID30929432(2S,4S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-3-(1H-imidazol-4-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isopropyl-N-[(2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide(2S,4S)-6-Cyclohexyl-4-hydroxy-5-{[(2S)-1-hydroxy-2-({1-hydroxy-2-[(naphthalen-1-yl)oxy]ethylidene}amino)-3-(1H-imidazol-5-yl)propylidene]amino}-N-[(3S)-1-hydroxy-3-methyl-1-{[(pyridin-2-yl)methyl]imino}pentan-2-yl]-2-(propan-2-yl)hexanimidic acid1H-Imidazole-4-propanamide, N-[1-(cyclohexylmethyl)-2-hydroxy-5-methyl-4-[[[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]amino]carbonyl]hexyl]-.alpha.-[[(1-naphthalenyloxy)acetyl]amino]-, [1S-[1R*(R*),2R*,4R*(1R*,2R*)]]-6-Cyclohexyl-4-hydroxy-5-{[1-hydroxy-2-({1-hydroxy-2-[(naphthalen-1-yl)oxy]ethylidene}amino)-3-(1H-imidazol-5-yl)propylidene]amino}-N-(1-hydroxy-3-methyl-1-{[(pyridin-2-yl)methyl]imino}pentan-2-yl)-2-(propan-2-yl)hexanimidic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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