(2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide

C28H32N4O4 — CID 118234330

IUPAC(2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide
SMILESC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCCc1ccccc1)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C28H32N4O4/c1-19(27(35)30-18-22-14-8-13-21-12-5-6-15-23(21)22)31-28(36)24(17-25(29)33)32-26(34)16-7-11-20-9-3-2-4-10-20/h2-6,8-10,12-15,19,24H,7,11,16-18H2,1H3,(H2,29,33)(H,30,35)(H,31,36)(H,32,34)/t19-,24-/m0/s1
InChIKeyLEVREMURXBPIMO-CYFREDJKSA-N
MW488.59 g/mol
LogP2.34
Rot. Bonds12

About (2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide

(2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide (PubChem CID 118234330) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide
PubChem CID118234330
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name(2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide
SMILESC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCCc1ccccc1)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C28H32N4O4/c1-19(27(35)30-18-22-14-8-13-21-12-5-6-15-23(21)22)31-28(36)24(17-25(29)33)32-26(34)16-7-11-20-9-3-2-4-10-20/h2-6,8-10,12-15,19,24H,7,11,16-18H2,1H3,(H2,29,33)(H,30,35)(H,31,36)(H,32,34)/t19-,24-/m0/s1
InChIKeyLEVREMURXBPIMO-CYFREDJKSA-N
XLogP2.34
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide 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

N'-hydroxy-N-[3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide
CID 123162957
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]butanediamide
CID 129093845
2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid
CID 146381982
(2R,5S)-6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)-4-oxo-5-(3-phenylpropanoylamino)hexanamide
CID 158584949
(2S)-2-(octanoylamino)-N-(2-phenylethyl)butanediamide
CID 162387333
(2S)-N',N'-diethyl-N-[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(3-phenylpropanoylamino)butanediamide
CID 123132922
(3S)-3-amino-4-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 118226744
(3S)-4-[[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-4-oxo-3-(3-phenylpropylamino)butanoic acid
CID 118226695
(2S)-N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N'-(2,2-dimethylpropyl)-2-(3-phenylpropanoylamino)butanediamide
CID 90665968
(2S)-4-(azetidin-1-yl)-N-[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)butanamide
CID 162663520
(2S)-N-[(2S)-3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(3-phenylpropanoylamino)butanediamide
CID 129094488
(2S)-N-[(1R,2R)-2-methoxy-1-(naphthalen-1-ylmethylcarbamoyl)cyclopropyl]-N'-[(2-methylpropan-2-yl)oxy]-2-(4-phenylbutanoylamino)butanediamide
CID 144886378

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide?
The IUPAC name of (2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide (CID 118234330) is (2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide?
The canonical SMILES for (2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide is C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCCc1ccccc1)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of (2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide?
The InChIKey is LEVREMURXBPIMO-CYFREDJKSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-19(27(35)30-18-22-14-8-13-21-12-5-6-15-23(21)22)31-28(36)24(17-25(29)33)32-26(34)16-7-11-20-9-3-2-4-10-20/h2-6,8-10,12-15,19,24H,7,11,16-18H2,1H3,(H2,29,33)(H,30,35)(H,31,36)(H,32,34)/t19-,24-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide?
(2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide has a molecular weight of 488.59 g/mol, XLogP of 2.34, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide is sourced from PubChem (CID 118234330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).