(2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide

C29H32N4O2 — CID 170783507

IUPAC(2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide
SMILESNCCC[C@H](N)C(=O)N[C@H](CC(=O)Nc1ccc2ccccc2c1)Cc1ccc2ccccc2c1
InChIInChI=1S/C29H32N4O2/c30-15-5-10-27(31)29(35)33-26(17-20-11-12-21-6-1-3-8-23(21)16-20)19-28(34)32-25-14-13-22-7-2-4-9-24(22)18-25/h1-4,6-9,11-14,16,18,26-27H,5,10,15,17,19,30-31H2,(H,32,34)(H,33,35)/t26-,27-/m0/s1
InChIKeyPRERDUOVQRUIRK-SVBPBHIXSA-N
MW468.60 g/mol
LogP4.12
Rot. Bonds10

About (2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide

(2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide (PubChem CID 170783507) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is (2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide
PubChem CID170783507
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name(2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide
SMILESNCCC[C@H](N)C(=O)N[C@H](CC(=O)Nc1ccc2ccccc2c1)Cc1ccc2ccccc2c1
InChIInChI=1S/C29H32N4O2/c30-15-5-10-27(31)29(35)33-26(17-20-11-12-21-6-1-3-8-23(21)16-20)19-28(34)32-25-14-13-22-7-2-4-9-24(22)18-25/h1-4,6-9,11-14,16,18,26-27H,5,10,15,17,19,30-31H2,(H,32,34)(H,33,35)/t26-,27-/m0/s1
InChIKeyPRERDUOVQRUIRK-SVBPBHIXSA-N
XLogP4.12
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2,5-diamino-N-[(2S)-1-(4-tert-butylphenyl)-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide
CID 170783524
(2S)-2,5-diamino-N-[(2S)-4-(naphthalen-2-ylamino)-4-oxo-1-(4-phenylmethoxyphenyl)butan-2-yl]pentanamide
CID 170783522
carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide
CID 90473324
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
CID 67360770
bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentyl]-methylazanium;chloride;trihydrochloride
CID 173379990
(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide
CID 67565119
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622
(2S)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2S)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]butanamide
CID 10169334

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide?
The IUPAC name of (2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide (CID 170783507) is (2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide?
The canonical SMILES for (2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide is NCCC[C@H](N)C(=O)N[C@H](CC(=O)Nc1ccc2ccccc2c1)Cc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide?
The InChIKey is PRERDUOVQRUIRK-SVBPBHIXSA-N. The full InChI is InChI=1S/C29H32N4O2/c30-15-5-10-27(31)29(35)33-26(17-20-11-12-21-6-1-3-8-23(21)16-20)19-28(34)32-25-14-13-22-7-2-4-9-24(22)18-25/h1-4,6-9,11-14,16,18,26-27H,5,10,15,17,19,30-31H2,(H,32,34)(H,33,35)/t26-,27-/m0/s1.
What are the key properties of (2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide?
(2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide has a molecular weight of 468.60 g/mol, XLogP of 4.12, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide is sourced from PubChem (CID 170783507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).