(3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid

C29H31NO5 — CID 160778155

IUPAC(3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid
SMILESC[C@H](NC(=O)[C@H](CC(=O)O)CC(=O)CCc1ccccc1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C29H31NO5/c1-20(27(32)17-15-23-12-7-11-22-10-5-6-13-26(22)23)30-29(35)24(19-28(33)34)18-25(31)16-14-21-8-3-2-4-9-21/h2-13,20,24H,14-19H2,1H3,(H,30,35)(H,33,34)/t20-,24-/m0/s1
InChIKeySAFMKMFITSMTAP-RDPSFJRHSA-N
MW473.57 g/mol
LogP4.53
Rot. Bonds13

About (3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid

(3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid (PubChem CID 160778155) has the molecular formula C29H31NO5 and a molecular weight of 473.57 g/mol. Its IUPAC name is (3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid.

Molecular Properties

Compound Name(3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid
PubChem CID160778155
Molecular FormulaC29H31NO5
Molecular Weight473.57 g/mol
Exact Mass473.22
IUPAC Name(3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid
SMILESC[C@H](NC(=O)[C@H](CC(=O)O)CC(=O)CCc1ccccc1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C29H31NO5/c1-20(27(32)17-15-23-12-7-11-22-10-5-6-13-26(22)23)30-29(35)24(19-28(33)34)18-25(31)16-14-21-8-3-2-4-9-21/h2-13,20,24H,14-19H2,1H3,(H,30,35)(H,33,34)/t20-,24-/m0/s1
InChIKeySAFMKMFITSMTAP-RDPSFJRHSA-N
XLogP4.53
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-methyl-4-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 162097900
(2S)-N'-tert-butyl-N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]-2-(2-oxo-4-phenylbutyl)butanediamide
CID 148661033
(2R,5S)-6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)-4-oxo-5-(3-phenylpropanoylamino)hexanamide
CID 158584949
3-amino-N-(2-naphthalen-1-ylethyl)butanamide
CID 115154377
(2S)-N-[(2S)-1-methoxy-5-naphthalen-1-yl-3-oxopentan-2-yl]-N'-methyl-2-(3-morpholin-4-yl-2-oxopropyl)butanediamide
CID 160841387
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
(2R)-2-amino-3-naphthalen-1-yl-N-(2-phenylethyl)propanamide
CID 70832631
tert-butyl (3R)-3-[[(2S)-1-methoxy-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxohexanoate
CID 159516656
(2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide
CID 118234330
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133212215
(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 100637571

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid?
The IUPAC name of (3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid (CID 160778155) is (3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid.
What is the SMILES notation for (3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid?
The canonical SMILES for (3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid is C[C@H](NC(=O)[C@H](CC(=O)O)CC(=O)CCc1ccccc1)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of (3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid?
The InChIKey is SAFMKMFITSMTAP-RDPSFJRHSA-N. The full InChI is InChI=1S/C29H31NO5/c1-20(27(32)17-15-23-12-7-11-22-10-5-6-13-26(22)23)30-29(35)24(19-28(33)34)18-25(31)16-14-21-8-3-2-4-9-21/h2-13,20,24H,14-19H2,1H3,(H,30,35)(H,33,34)/t20-,24-/m0/s1.
What are the key properties of (3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid?
(3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid has a molecular weight of 473.57 g/mol, XLogP of 4.53, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid is sourced from PubChem (CID 160778155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).