N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide

C35H37N3O6 — CID 129160254

About N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide

N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide (PubChem CID 129160254) has the molecular formula C35H37N3O6 and a molecular weight of 595.70 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide
• PubChem CID: 129160254
• Molecular Formula: C35H37N3O6
• Molecular Weight: 595.70 g/mol
• Exact Mass: 595.27
• IUPAC Name: N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide
• SMILES: COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@H]2CO2)cc1
• InChI: InChI=1S/C35H37N3O6/c1-21-27-12-8-7-11-25(27)19-28(21)34(41)36-22(2)33(40)38-30(18-24-13-15-26(43-3)16-14-24)35(42)37-29(32(39)31-20-44-31)17-23-9-5-4-6-10-23/h4-16,22,29-31H,17-20H2,1-3H3,(H,36,41)(H,37,42)(H,38,40)/t22-,29-,30-,31+/m0/s1
• InChIKey: ORRLWPOFJYKMKS-SIPOVPPQSA-N
• XLogP: 2.95
• TPSA: 126.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.70
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide (CID 129160254) is N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide is COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@H]2CO2)cc1.

What is the InChIKey of N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide?

The InChIKey is ORRLWPOFJYKMKS-SIPOVPPQSA-N. The full InChI is InChI=1S/C35H37N3O6/c1-21-27-12-8-7-11-25(27)19-28(21)34(41)36-22(2)33(40)38-30(18-24-13-15-26(43-3)16-14-24)35(42)37-29(32(39)31-20-44-31)17-23-9-5-4-6-10-23/h4-16,22,29-31H,17-20H2,1-3H3,(H,36,41)(H,37,42)(H,38,40)/t22-,29-,30-,31+/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide?

N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide has a molecular weight of 595.70 g/mol, XLogP of 2.95, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide is sourced from PubChem (CID 129160254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).