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L-Idonamide, 6-cyclohexyl-2,5,6-trideoxy-5-((3-(1H-imidazol-4-yl)-2-(((1-naphthalenyloxy)acetyl)amino)-1-oxopropyl)amino)-2-(2-methylpropyl)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-, (1(1S,2S),5(S))-

HCID 453375
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Basic information

CAS
134485-19-1
Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1
InChIKey
NCMSBBJAYJSYTD-XTKTUTHMSA-N
Molecular formula
C46H63N7O7
Average molar mass
826 g/mol
Monoisotopic mass
825.47889737

Names & identifiers

Preferred name
L-Idonamide, 6-cyclohexyl-2,5,6-trideoxy-5-((3-(1H-imidazol-4-yl)-2-(((1-naphthalenyloxy)acetyl)amino)-1-oxopropyl)amino)-2-(2-methylpropyl)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-, (1(1S,2S),5(S))-
IUPAC
(2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-(2-methylpropyl)hexanamide

Names & synonyms

134485-19-1CHEMBL299376L-Idonamide, 6-cyclohexyl-2,5,6-trideoxy-5-((3-(1H-imidazol-4-yl)-2-(((1-naphthalenyloxy)acetyl)amino)-1-oxopropyl)amino)-2-(2-methylpropyl)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-, (1(1S,2S),5(S))-L-Idonamide, 6-cyclohexyl-2,5,6-trideoxy-5-[[3-(1H-imidazol-4-yl)-2-[[(1-naphthalenyloxy)acetyl]amino]-1-oxopropyl]amino]-2-(2-methylpropyl)-N-[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]-, [1(1S,2S),5(S)]-NOA-His-CLD-Ile-AmpDTXSID80158750BDBM50000794(2R,3R,4R,5S)-6-Cyclohexyl-3,4-dihydroxy-5-[(2S)-3-(1H-imidazol-5-yl)-2-{2-[(naphthalen-1-yl)oxy]acetamido}propanamido]-N-[(2S,3S)-3-methyl-1-oxo-1-{[(pyridin-2-yl)methyl]amino}pentan-2-yl]-2-(2-methylpropyl)hexanamide(2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-4-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isobutyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide(2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isobutyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide1-Naphthoxyacetyl-L-histidyl-5S-amino-6-cyclohexyl-3R,4R-dihydroxy-2R-isobutyl-hexanoyl-L-isoleucyl-2-pyridylmethylamide

Database identifiers

CAS
134485-19-1
PubChem CID
453375
DTXSID
DTXSID80158750
ChEMBL
CHEMBL299376
Nikkaji
J425.778B

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
208 Ų
Hydrogen bond donors
7
Hydrogen bond acceptors
9
Rotatable bonds
22
Heavy atoms
60
Formal charge
0
Complexity
1,330

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