[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate

C30H28N2O5 — CID 127025927

IUPAC[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(N[C@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O5/c33-28(24-15-8-3-9-16-24)31-25(19-22-11-4-1-5-12-22)21-37-30(35)26(20-23-13-6-2-7-14-23)32-29(34)27-17-10-18-36-27/h1-18,25-26H,19-21H2,(H,31,33)(H,32,34)/t25-,26+/m0/s1
InChIKeyPJSHKUZLSLGFCX-IZZNHLLZSA-N
MW496.56 g/mol
LogP4.21
Rot. Bonds11

About [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate

[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 127025927) has the molecular formula C30H28N2O5 and a molecular weight of 496.56 g/mol. Its IUPAC name is [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID127025927
Molecular FormulaC30H28N2O5
Molecular Weight496.56 g/mol
Exact Mass496.20
IUPAC Name[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(N[C@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O5/c33-28(24-15-8-3-9-16-24)31-25(19-22-11-4-1-5-12-22)21-37-30(35)26(20-23-13-6-2-7-14-23)32-29(34)27-17-10-18-36-27/h1-18,25-26H,19-21H2,(H,31,33)(H,32,34)/t25-,26+/m0/s1
InChIKeyPJSHKUZLSLGFCX-IZZNHLLZSA-N
XLogP4.21
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate with MolForge

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Related Compounds

[(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] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57396637
(2-benzamido-3-phenylpropyl) 2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 76535138
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55936409
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55925984
(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate
CID 151924983
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
[(2R)-2-benzamido-3-phenylpropyl] (2R)-3-phenyl-2-(1,2,4-triazole-1-carbonylamino)propanoate
CID 127041358

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 127025927) is [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate is O=C(N[C@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is PJSHKUZLSLGFCX-IZZNHLLZSA-N. The full InChI is InChI=1S/C30H28N2O5/c33-28(24-15-8-3-9-16-24)31-25(19-22-11-4-1-5-12-22)21-37-30(35)26(20-23-13-6-2-7-14-23)32-29(34)27-17-10-18-36-27/h1-18,25-26H,19-21H2,(H,31,33)(H,32,34)/t25-,26+/m0/s1.
What are the key properties of [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 496.56 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 127025927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).