(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid

C27H36N2O5 — CID 122210174

IUPAC(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H36N2O5/c1-27(2,3)34-26(33)29-23(19-21-12-8-5-9-13-21)14-16-24(30)28-22(15-17-25(31)32)18-20-10-6-4-7-11-20/h4-13,22-23H,14-19H2,1-3H3,(H,28,30)(H,29,33)(H,31,32)/t22-,23-/m1/s1
InChIKeyHOIUGZRSSSLDCT-DHIUTWEWSA-N
MW468.59 g/mol
LogP4.49
Rot. Bonds12

About (4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid

(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid (PubChem CID 122210174) has the molecular formula C27H36N2O5 and a molecular weight of 468.59 g/mol. Its IUPAC name is (4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
PubChem CID122210174
Molecular FormulaC27H36N2O5
Molecular Weight468.59 g/mol
Exact Mass468.26
IUPAC Name(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H36N2O5/c1-27(2,3)34-26(33)29-23(19-21-12-8-5-9-13-21)14-16-24(30)28-22(15-17-25(31)32)18-20-10-6-4-7-11-20/h4-13,22-23H,14-19H2,1-3H3,(H,28,30)(H,29,33)(H,31,32)/t22-,23-/m1/s1
InChIKeyHOIUGZRSSSLDCT-DHIUTWEWSA-N
XLogP4.49
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid 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

tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate
CID 175023120
4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid
CID 113236070
(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid
CID 102427058
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
5-[4-(benzenesulfonyloxy)phenyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 91405478
tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate
CID 69432216
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
CID 76601807
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 118431287

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of (4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid (CID 122210174) is (4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for (4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for (4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid is CC(C)(C)OC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid?
The InChIKey is HOIUGZRSSSLDCT-DHIUTWEWSA-N. The full InChI is InChI=1S/C27H36N2O5/c1-27(2,3)34-26(33)29-23(19-21-12-8-5-9-13-21)14-16-24(30)28-22(15-17-25(31)32)18-20-10-6-4-7-11-20/h4-13,22-23H,14-19H2,1-3H3,(H,28,30)(H,29,33)(H,31,32)/t22-,23-/m1/s1.
What are the key properties of (4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid?
(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid has a molecular weight of 468.59 g/mol, XLogP of 4.49, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122210174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).