[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate

C32H30N2O5 — CID 57396637

IUPAC[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
SMILESO=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C32H30N2O5/c35-28-18-10-17-26(21-28)31(37)34-29(20-24-13-6-2-7-14-24)32(38)39-22-27(19-23-11-4-1-5-12-23)33-30(36)25-15-8-3-9-16-25/h1-18,21,27,29,35H,19-20,22H2,(H,33,36)(H,34,37)/t27-,29-/m0/s1
InChIKeyJWWGQXCUTOROSQ-YTMVLYRLSA-N
MW522.60 g/mol
LogP4.32
Rot. Bonds11

About [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate

[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate (PubChem CID 57396637) has the molecular formula C32H30N2O5 and a molecular weight of 522.60 g/mol. Its IUPAC name is [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
PubChem CID57396637
Molecular FormulaC32H30N2O5
Molecular Weight522.60 g/mol
Exact Mass522.22
IUPAC Name[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
SMILESO=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C32H30N2O5/c35-28-18-10-17-26(21-28)31(37)34-29(20-24-13-6-2-7-14-24)32(38)39-22-27(19-23-11-4-1-5-12-23)33-30(36)25-15-8-3-9-16-25/h1-18,21,27,29,35H,19-20,22H2,(H,33,36)(H,34,37)/t27-,29-/m0/s1
InChIKeyJWWGQXCUTOROSQ-YTMVLYRLSA-N
XLogP4.32
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate 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

(2-benzamido-3-phenylpropyl) 2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 76535138
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57403592
[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57393139
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 127025927
N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
CID 114300288
(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate
CID 151924983
[(2R)-2-benzamido-3-phenylpropyl] (2R)-3-phenyl-2-(1,2,4-triazole-1-carbonylamino)propanoate
CID 127041358
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate
CID 141160765
[(2R)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 151435592
[(2R)-2-benzamido-3-phenylpropyl] (2S)-2-[(2-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 150330991
[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 150710755
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate (CID 57396637) is [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate is O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate?
The InChIKey is JWWGQXCUTOROSQ-YTMVLYRLSA-N. The full InChI is InChI=1S/C32H30N2O5/c35-28-18-10-17-26(21-28)31(37)34-29(20-24-13-6-2-7-14-24)32(38)39-22-27(19-23-11-4-1-5-12-23)33-30(36)25-15-8-3-9-16-25/h1-18,21,27,29,35H,19-20,22H2,(H,33,36)(H,34,37)/t27-,29-/m0/s1.
What are the key properties of [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate?
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate has a molecular weight of 522.60 g/mol, XLogP of 4.32, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 57396637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).