Noa-His-CVA-Thr-Amp

HCID 465637

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Basic information

CAS: 146363-71-5
Standard SMILES: CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)N[C@H](C(=O)NCc1ccccn1)C(C)O
InChIKey: DAESEBURUKXLEX-MPIJBFAISA-N
Molecular formula: C43H57N7O7
Average molar mass: 784 g/mol
Monoisotopic mass: 783.43194718

Names & identifiers

Preferred name: Noa-His-CVA-Thr-Amp
IUPAC: (2S,4S,5S)-6-cyclohexyl-4-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-2-propan-2-ylhexanamide

Names & synonyms

Noa-His-CVA-Thr-Amp146363-71-51H-Imidazole-4-propanamide, N-(1-(cyclohexylmethyl)-2-hydroxy-4-(((2-hydroxy-1-(((2-pyridinylmethyl)amino)carbonyl)propyl)amino)carbonyl)-5-methylhexyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2R*,4R*(1R*,2S*)))-DTXSID00932817(2S,4S,5S)-6-cyclohexyl-4-hydroxy-N-[(1S)-2-hydroxy-1-(2-pyridylmethylcarbamoyl)propyl]-5-[[(2S)-3-(1H-imidazol-4-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isopropyl-hexanamide(2S,4S,5S)-6-Cyclohexyl-N-[(2S)-1,3-dihydroxy-1-{[(pyridin-2-yl)methyl]imino}butan-2-yl]-4-hydroxy-5-{[(2S)-1-hydroxy-2-({1-hydroxy-2-[(naphthalen-1-yl)oxy]ethylidene}amino)-3-(1H-imidazol-5-yl)propylidene]amino}-2-(propan-2-yl)hexanimidic acid1H-Imidazole-4-propanamide, N-[1-(cyclohexylmethyl)-2-hydroxy-4-[[[2-hydroxy-1-[[(2-pyridinylmethyl)amino]carbonyl]propyl]amino]carbonyl]-5-methylhexyl]-.alpha.-[[(1-naphthalenyloxy)acetyl]amino]-, [1S-[1R*(R*),2R*,4R*(1R*,2S*)]]-6-Cyclohexyl-N-(1,3-dihydroxy-1-{[(pyridin-2-yl)methyl]imino}butan-2-yl)-4-hydroxy-5-{[1-hydroxy-2-({1-hydroxy-2-[(naphthalen-1-yl)oxy]ethylidene}amino)-3-(1H-imidazol-5-yl)propylidene]amino}-2-(propan-2-yl)hexanimidic acid

Database identifiers

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 208 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 9
Rotatable bonds: 20
Heavy atoms: 57
Formal charge: 0
Complexity: 1,270

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