Noa-His-CVA-Ser-Amp

HCID 465636

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 150592-13-5
Standard SMILES: CC(C)[C@H](C[C@H](O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CO)C(=O)NCc1ccccn1
InChIKey: YCKVPKQIRFHJRX-YUFQDZNVSA-N
Molecular formula: C42H55N7O7
Average molar mass: 769.9 g/mol
Monoisotopic mass: 769.41629712

Names & identifiers

Preferred name: Noa-His-CVA-Ser-Amp
IUPAC: (2S,4S)-6-cyclohexyl-4-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-(pyridin-2-ylmethylamino)propan-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-Ser-Amp150592-13-51H-Imidazole-4-propanamide, N-(1-(cyclohexylmethyl)-2-hydroxy-4-(((1-(hydroxymethyl)-2-oxo-2-((2-pyridinylmethyl)amino)ethyl)amino)carbonyl)-5-methylhexyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2R*,4R*(R*)))-DTXSID70934000(2S,4S)-6-cyclohexyl-4-hydroxy-N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(2-pyridylmethylamino)ethyl]-5-[[(2S)-3-(1H-imidazol-4-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isopropyl-hexanamide(2S,4S)-6-Cyclohexyl-N-[(2S)-1,3-dihydroxy-1-{[(pyridin-2-yl)methyl]imino}propan-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-[[[1-(hydroxymethyl)-2-oxo-2-[(2-pyridinylmethyl)amino]ethyl]amino]carbonyl]-5-methylhexyl]-.alpha.-[[(1-naphthalenyloxy)acetyl]amino]-, [1S-[1R*(R*),2R*,4R*(R*)]]-6-Cyclohexyl-N-(1,3-dihydroxy-1-{[(pyridin-2-yl)methyl]imino}propan-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: 4.7
Topological polar surface area: 208 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 9
Rotatable bonds: 20
Heavy atoms: 56
Formal charge: 0
Complexity: 1,240

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…