(2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride

C28H33ClN2O3 — CID 23551238

IUPAC(2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride
SMILESCl.N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)COCc1ccccc1
InChIInChI=1S/C28H32N2O3.ClH/c29-25(18-16-22-10-4-1-5-11-22)28(32)30-26(19-17-23-12-6-2-7-13-23)27(31)21-33-20-24-14-8-3-9-15-24;/h1-15,25-26H,16-21,29H2,(H,30,32);1H/t25-,26-;/m0./s1
InChIKeyNEYUHVBCAPVOAB-CCQIZPNASA-N
MW481.04 g/mol
LogP4.27
Rot. Bonds13

About (2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride

(2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride (PubChem CID 23551238) has the molecular formula C28H33ClN2O3 and a molecular weight of 481.04 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride
PubChem CID23551238
Molecular FormulaC28H33ClN2O3
Molecular Weight481.04 g/mol
Exact Mass480.22
IUPAC Name(2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride
SMILESCl.N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)COCc1ccccc1
InChIInChI=1S/C28H32N2O3.ClH/c29-25(18-16-22-10-4-1-5-11-22)28(32)30-26(19-17-23-12-6-2-7-13-23)27(31)21-33-20-24-14-8-3-9-15-24;/h1-15,25-26H,16-21,29H2,(H,30,32);1H/t25-,26-;/m0./s1
InChIKeyNEYUHVBCAPVOAB-CCQIZPNASA-N
XLogP4.27
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.04
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-N-[(3S)-1-ethoxy-2-oxo-5-phenylpentan-3-yl]-3-phenylpropanamide
CID 131722875
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid
CID 107825099
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid
CID 104984630
methyl (2S)-2-[[(2R)-2-amino-4-phenylbutanoyl]amino]-3-phenylpropanoate
CID 10807081
benzyl N-(1-chloro-2-oxo-5-phenylpentan-3-yl)carbamate
CID 114929890
benzyl N-(1-bromo-2-oxo-5-phenylpentan-3-yl)carbamate
CID 114929893
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
CID 107565009
benzyl (2S)-2-[2-[[(2S)-2-amino-4-phenylbutanoyl]amino]propanoylamino]-3-phenylpropanoate
CID 144576469
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
(3S)-3-amino-4-oxo-4-[[(2S)-1-oxo-1,3-bis(phenylmethoxy)propan-2-yl]amino]butanoic acid
CID 15922425

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride (CID 23551238) is (2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride is Cl.N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)COCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride?
The InChIKey is NEYUHVBCAPVOAB-CCQIZPNASA-N. The full InChI is InChI=1S/C28H32N2O3.ClH/c29-25(18-16-22-10-4-1-5-11-22)28(32)30-26(19-17-23-12-6-2-7-13-23)27(31)21-33-20-24-14-8-3-9-15-24;/h1-15,25-26H,16-21,29H2,(H,30,32);1H/t25-,26-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride?
(2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride has a molecular weight of 481.04 g/mol, XLogP of 4.27, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride is sourced from PubChem (CID 23551238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).