(4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide

C32H36N4O5 — CID 162411069

IUPAC(4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide
SMILESO=C1N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCCc2ccccc2)CO1
InChIInChI=1S/C32H36N4O5/c37-29(33-19-11-10-14-23-12-4-1-5-13-23)26(20-24-15-6-2-7-16-24)34-30(38)27(21-25-17-8-3-9-18-25)35-31(39)28-22-41-32(40)36-28/h1-9,12-13,15-18,26-28H,10-11,14,19-22H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)/t26-,27-,28-/m0/s1
InChIKeyFTFOEYKZKKHRHF-KCHLEUMXSA-N
MW556.66 g/mol
LogP2.69
Rot. Bonds14

About (4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide

(4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide (PubChem CID 162411069) has the molecular formula C32H36N4O5 and a molecular weight of 556.66 g/mol. Its IUPAC name is (4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide
PubChem CID162411069
Molecular FormulaC32H36N4O5
Molecular Weight556.66 g/mol
Exact Mass556.27
IUPAC Name(4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide
SMILESO=C1N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCCc2ccccc2)CO1
InChIInChI=1S/C32H36N4O5/c37-29(33-19-11-10-14-23-12-4-1-5-13-23)26(20-24-15-6-2-7-16-24)34-30(38)27(21-25-17-8-3-9-18-25)35-31(39)28-22-41-32(40)36-28/h1-9,12-13,15-18,26-28H,10-11,14,19-22H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)/t26-,27-,28-/m0/s1
InChIKeyFTFOEYKZKKHRHF-KCHLEUMXSA-N
XLogP2.69
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.66
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide
CID 7064689
benzyl N-[1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]carbamate
CID 141145245
3-phenyl-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]propanoic acid
CID 18223664
(2S,3S)-3-[[(2S)-1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid
CID 22876897
[1-hydroxy-4-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-1-phosphonobutyl]phosphonic acid
CID 10458387
2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid
CID 23318222
5-[[(2S)-1-(heptylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexane-1,3-dicarboxylic acid
CID 143048112
benzyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-[12-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]dodecylamino]propan-2-yl]amino]-3-phenylpropan-2-yl]carbamate
CID 10843729
(2S,3S)-3-[[(2S)-1-(3-ethoxypropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
CID 22878435
(2S)-2-(2-aminoethylsulfonylamino)-3-phenyl-N-(4-phenylbutyl)propanamide
CID 173149220
2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-3-sulfanylpropanoic acid
CID 18223658
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713

Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide (CID 162411069) is (4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide is O=C1N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCCc2ccccc2)CO1.
What is the InChIKey of (4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide?
The InChIKey is FTFOEYKZKKHRHF-KCHLEUMXSA-N. The full InChI is InChI=1S/C32H36N4O5/c37-29(33-19-11-10-14-23-12-4-1-5-13-23)26(20-24-15-6-2-7-16-24)34-30(38)27(21-25-17-8-3-9-18-25)35-31(39)28-22-41-32(40)36-28/h1-9,12-13,15-18,26-28H,10-11,14,19-22H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)/t26-,27-,28-/m0/s1.
What are the key properties of (4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide?
(4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 556.66 g/mol, XLogP of 2.69, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 162411069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).