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

C32H30N2O5 — CID 57393139

IUPAC[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate
SMILESO=C(N[C@@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C32H30N2O5/c35-29-19-11-10-18-27(29)31(37)34-28(21-24-14-6-2-7-15-24)32(38)39-22-26(20-23-12-4-1-5-13-23)33-30(36)25-16-8-3-9-17-25/h1-19,26,28,35H,20-22H2,(H,33,36)(H,34,37)/t26-,28-/m1/s1
InChIKeyUONGEEYFLAMFBU-IXCJQBJRSA-N
MW522.60 g/mol
LogP4.32
Rot. Bonds11

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

[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate (PubChem CID 57393139) has the molecular formula C32H30N2O5 and a molecular weight of 522.60 g/mol. Its IUPAC name is [(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Name[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate
PubChem CID57393139
Molecular FormulaC32H30N2O5
Molecular Weight522.60 g/mol
Exact Mass522.22
IUPAC Name[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate
SMILESO=C(N[C@@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C32H30N2O5/c35-29-19-11-10-18-27(29)31(37)34-28(21-24-14-6-2-7-15-24)32(38)39-22-26(20-23-12-4-1-5-13-23)33-30(36)25-16-8-3-9-17-25/h1-19,26,28,35H,20-22H2,(H,33,36)(H,34,37)/t26-,28-/m1/s1
InChIKeyUONGEEYFLAMFBU-IXCJQBJRSA-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

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Related Compounds

[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57403592
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57396637
(2-benzamido-3-phenylpropyl) 2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 76535138
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 127025927
(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate
CID 151924983
N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide
CID 114311235
[(2R)-2-benzamido-3-phenylpropyl] (2R)-3-phenyl-2-(1,2,4-triazole-1-carbonylamino)propanoate
CID 127041358
[(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
N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464831
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate
CID 141160765

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of [(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate (CID 57393139) is [(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for [(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for [(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate is O=C(N[C@@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate?
The InChIKey is UONGEEYFLAMFBU-IXCJQBJRSA-N. The full InChI is InChI=1S/C32H30N2O5/c35-29-19-11-10-18-27(29)31(37)34-28(21-24-14-6-2-7-15-24)32(38)39-22-26(20-23-12-4-1-5-13-23)33-30(36)25-16-8-3-9-17-25/h1-19,26,28,35H,20-22H2,(H,33,36)(H,34,37)/t26-,28-/m1/s1.
What are the key properties of [(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate?
[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-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 [(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 57393139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).