[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate

C32H30N2O5 — CID 57403592

IUPAC[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate
SMILESO=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C32H30N2O5/c35-28-18-16-26(17-19-28)31(37)34-29(21-24-12-6-2-7-13-24)32(38)39-22-27(20-23-10-4-1-5-11-23)33-30(36)25-14-8-3-9-15-25/h1-19,27,29,35H,20-22H2,(H,33,36)(H,34,37)/t27-,29-/m0/s1
InChIKeyOQEMUSFUTGGNTL-YTMVLYRLSA-N
MW522.60 g/mol
LogP4.32
Rot. Bonds11

About [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate

[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate (PubChem CID 57403592) 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-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate
PubChem CID57403592
Molecular FormulaC32H30N2O5
Molecular Weight522.60 g/mol
Exact Mass522.22
IUPAC Name[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate
SMILESO=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C32H30N2O5/c35-28-18-16-26(17-19-28)31(37)34-29(21-24-12-6-2-7-13-24)32(38)39-22-27(20-23-10-4-1-5-11-23)33-30(36)25-14-8-3-9-15-25/h1-19,27,29,35H,20-22H2,(H,33,36)(H,34,37)/t27-,29-/m0/s1
InChIKeyOQEMUSFUTGGNTL-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-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate with MolForge

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Related Compounds

[(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
[(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
(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate
CID 151924983
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
[(2R)-2-benzamido-3-phenylpropyl] (2R)-3-phenyl-2-(1,2,4-triazole-1-carbonylamino)propanoate
CID 127041358
butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 101068161
tert-butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 139986804
[(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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate (CID 57403592) is [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate is O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate?
The InChIKey is OQEMUSFUTGGNTL-YTMVLYRLSA-N. The full InChI is InChI=1S/C32H30N2O5/c35-28-18-16-26(17-19-28)31(37)34-29(21-24-12-6-2-7-13-24)32(38)39-22-27(20-23-10-4-1-5-11-23)33-30(36)25-14-8-3-9-15-25/h1-19,27,29,35H,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-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate?
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-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-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 57403592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).