(2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide

C28H38N4O5 — CID 11191451

IUPAC(2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide
SMILESCC(C)C[C@H](NC(=O)C(Cc1cccc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC1CCC1)C(N)=O
InChIInChI=1S/C28H38N4O5/c1-17(2)13-23(26(29)34)30-28(36)24(15-20-11-6-10-19-9-3-4-12-22(19)20)31-27(35)21(16-25(33)32-37)14-18-7-5-8-18/h3-4,6,9-12,17-18,21,23-24,37H,5,7-8,13-16H2,1-2H3,(H2,29,34)(H,30,36)(H,31,35)(H,32,33)/t21-,23+,24?/m1/s1
InChIKeyGYWUJNREMKBXJL-RZVHPXSESA-N
MW510.64 g/mol
LogP2.59
Rot. Bonds13

About (2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide

(2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide (PubChem CID 11191451) has the molecular formula C28H38N4O5 and a molecular weight of 510.64 g/mol. Its IUPAC name is (2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide.

Molecular Properties

Compound Name(2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide
PubChem CID11191451
Molecular FormulaC28H38N4O5
Molecular Weight510.64 g/mol
Exact Mass510.28
IUPAC Name(2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide
SMILESCC(C)C[C@H](NC(=O)C(Cc1cccc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC1CCC1)C(N)=O
InChIInChI=1S/C28H38N4O5/c1-17(2)13-23(26(29)34)30-28(36)24(15-20-11-6-10-19-9-3-4-12-22(19)20)31-27(35)21(16-25(33)32-37)14-18-7-5-8-18/h3-4,6,9-12,17-18,21,23-24,37H,5,7-8,13-16H2,1-2H3,(H2,29,34)(H,30,36)(H,31,35)(H,32,33)/t21-,23+,24?/m1/s1
InChIKeyGYWUJNREMKBXJL-RZVHPXSESA-N
XLogP2.59
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 52.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide with MolForge

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Related Compounds

ethyl 4-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-3-(cyclobutylmethyl)-4-oxobutanoate
CID 90707065
N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 73016805
(2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 10668631
N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 87854880
(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-4-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]pentanoyl]amino]heptanoic acid
CID 14073091
(2S)-2-[[(2S)-4-amino-2-[[16-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-16-oxohexadecanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoic acid
CID 15958554
3-hydroxy-4-[[(2S)-3-(1H-imidazol-5-yl)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoyl]amino]-6-methylheptanamide
CID 70460235
benzyl N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-(cyclohexylmethylamino)-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate
CID 70429310
N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 87854894
N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-4-methyl-2-[[(2S)-2-methyl-3-naphthalen-1-ylpropanoyl]amino]pentanamide
CID 161138500
N-[(2S)-1-[[(3S,4S)-1-hydrazinyl-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 15594287
(2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-N-[(2S,3R,4S)-3,4-dihydroxy-6-methyl-1-naphthalen-1-ylheptan-2-yl]-3-methylpentanamide
CID 10415244

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide?
The IUPAC name of (2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide (CID 11191451) is (2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide.
What is the SMILES notation for (2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide?
The canonical SMILES for (2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide is CC(C)C[C@H](NC(=O)C(Cc1cccc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC1CCC1)C(N)=O.
What is the InChIKey of (2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide?
The InChIKey is GYWUJNREMKBXJL-RZVHPXSESA-N. The full InChI is InChI=1S/C28H38N4O5/c1-17(2)13-23(26(29)34)30-28(36)24(15-20-11-6-10-19-9-3-4-12-22(19)20)31-27(35)21(16-25(33)32-37)14-18-7-5-8-18/h3-4,6,9-12,17-18,21,23-24,37H,5,7-8,13-16H2,1-2H3,(H2,29,34)(H,30,36)(H,31,35)(H,32,33)/t21-,23+,24?/m1/s1.
What are the key properties of (2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide?
(2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide has a molecular weight of 510.64 g/mol, XLogP of 2.59, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(cyclobutylmethyl)-N'-hydroxybutanediamide is sourced from PubChem (CID 11191451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).