(4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid

C25H24N2O5 — CID 68700542

IUPAC(4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid
SMILESO=C(O)CC[C@H](NC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C25H24N2O5/c28-21-12-10-19(11-13-21)18-6-8-20(9-7-18)24(31)27-22(14-15-23(29)30)25(32)26-16-17-4-2-1-3-5-17/h1-13,22,28H,14-16H2,(H,26,32)(H,27,31)(H,29,30)/t22-/m0/s1
InChIKeyRYYPHTADGHSXMV-QFIPXVFZSA-N
MW432.48 g/mol
LogP3.34
Rot. Bonds9

About (4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid

(4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid (PubChem CID 68700542) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is (4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid
PubChem CID68700542
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name(4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid
SMILESO=C(O)CC[C@H](NC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C25H24N2O5/c28-21-12-10-19(11-13-21)18-6-8-20(9-7-18)24(31)27-22(14-15-23(29)30)25(32)26-16-17-4-2-1-3-5-17/h1-13,22,28H,14-16H2,(H,26,32)(H,27,31)(H,29,30)/t22-/m0/s1
InChIKeyRYYPHTADGHSXMV-QFIPXVFZSA-N
XLogP3.34
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-5-(benzylamino)-5-oxo-4-[(4-pyridin-4-ylbenzoyl)amino]pentanoic acid
CID 68702256
(4S)-5-(benzylamino)-4-[[4-[4-(naphthalen-2-ylmethoxy)phenyl]benzoyl]amino]-5-oxopentanoic acid
CID 68702730
(4S)-5-(benzylamino)-4-[[4-[4-[(3-bromophenyl)methoxy]phenyl]benzoyl]amino]-5-oxopentanoic acid
CID 68704367
(4S)-5-oxo-4-[(4-phenylbenzoyl)amino]-5-(4-phenylbutylamino)pentanoic acid
CID 67332259
(4S)-5-[(3,4-dimethoxyphenyl)methylamino]-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoic acid
CID 67333080
(4S)-5-(5-hydroxypentylamino)-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoic acid
CID 67334230
tert-butyl 4-[[4-(4-aminophenyl)benzoyl]amino]-5-(benzylamino)-5-oxopentanoate
CID 67333000
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 6723660
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide
CID 118411664
(4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid
CID 59696983
N-[(2S)-1-(benzylamino)-1,5-dioxopentan-2-yl]-4-bromobenzamide
CID 88910399

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid (CID 68700542) is (4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid is O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of (4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid?
The InChIKey is RYYPHTADGHSXMV-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24N2O5/c28-21-12-10-19(11-13-21)18-6-8-20(9-7-18)24(31)27-22(14-15-23(29)30)25(32)26-16-17-4-2-1-3-5-17/h1-13,22,28H,14-16H2,(H,26,32)(H,27,31)(H,29,30)/t22-/m0/s1.
What are the key properties of (4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid?
(4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid has a molecular weight of 432.48 g/mol, XLogP of 3.34, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 68700542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).