benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate

C35H37N7O6 — CID 24879233

IUPACbenzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
SMILESCN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO
InChIInChI=1S/C35H37N7O6/c1-42(34(45)30(18-26-20-36-22-38-26)40-35(46)48-21-24-12-6-3-7-13-24)31(16-23-10-4-2-5-11-23)33(44)39-29(32(43)41-47)17-25-19-37-28-15-9-8-14-27(25)28/h2-15,19-20,22,29-31,37,47H,16-18,21H2,1H3,(H,36,38)(H,39,44)(H,40,46)(H,41,43)/t29-,30-,31-/m0/s1
InChIKeyPUYLOEIRYPDFJO-CHQNGUEUSA-N
MW651.72 g/mol
LogP3.03
Rot. Bonds14

About benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 24879233) has the molecular formula C35H37N7O6 and a molecular weight of 651.72 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
PubChem CID24879233
Molecular FormulaC35H37N7O6
Molecular Weight651.72 g/mol
Exact Mass651.28
IUPAC Namebenzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
SMILESCN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO
InChIInChI=1S/C35H37N7O6/c1-42(34(45)30(18-26-20-36-22-38-26)40-35(46)48-21-24-12-6-3-7-13-24)31(16-23-10-4-2-5-11-23)33(44)39-29(32(43)41-47)17-25-19-37-28-15-9-8-14-27(25)28/h2-15,19-20,22,29-31,37,47H,16-18,21H2,1H3,(H,36,38)(H,39,44)(H,40,46)(H,41,43)/t29-,30-,31-/m0/s1
InChIKeyPUYLOEIRYPDFJO-CHQNGUEUSA-N
XLogP3.03
TPSA181.54 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.72
LogP ≤ 53.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate (CID 24879233) is benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate is CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO.
What is the InChIKey of benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is PUYLOEIRYPDFJO-CHQNGUEUSA-N. The full InChI is InChI=1S/C35H37N7O6/c1-42(34(45)30(18-26-20-36-22-38-26)40-35(46)48-21-24-12-6-3-7-13-24)31(16-23-10-4-2-5-11-23)33(44)39-29(32(43)41-47)17-25-19-37-28-15-9-8-14-27(25)28/h2-15,19-20,22,29-31,37,47H,16-18,21H2,1H3,(H,36,38)(H,39,44)(H,40,46)(H,41,43)/t29-,30-,31-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 651.72 g/mol, XLogP of 3.03, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 24879233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).