N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide

C39H42N6O5 — CID 25185611

About N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide

N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide (PubChem CID 25185611) has the molecular formula C39H42N6O5 and a molecular weight of 674.80 g/mol. Its IUPAC name is N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide
• PubChem CID: 25185611
• Molecular Formula: C39H42N6O5
• Molecular Weight: 674.80 g/mol
• Exact Mass: 674.32
• IUPAC Name: N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide
• SMILES: NC(=O)[C@H](Cc1ccco1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1CCNCC1
• InChI: InChI=1S/C39H42N6O5/c40-36(46)33(23-30-9-6-20-50-30)43-39(49)35(22-29-24-42-32-11-5-4-10-31(29)32)45-38(48)34(44-37(47)28-16-18-41-19-17-28)21-25-12-14-27(15-13-25)26-7-2-1-3-8-26/h1-15,20,24,28,33-35,41-42H,16-19,21-23H2,(H2,40,46)(H,43,49)(H,44,47)(H,45,48)/t33-,34+,35+/m0/s1
• InChIKey: IRKBHUVIUQHZKX-BMPTZRATSA-N
• XLogP: 3.40
• TPSA: 171.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.80
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide (CID 25185611) is N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide is NC(=O)[C@H](Cc1ccco1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1CCNCC1.

What is the InChIKey of N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide?

The InChIKey is IRKBHUVIUQHZKX-BMPTZRATSA-N. The full InChI is InChI=1S/C39H42N6O5/c40-36(46)33(23-30-9-6-20-50-30)43-39(49)35(22-29-24-42-32-11-5-4-10-31(29)32)45-38(48)34(44-37(47)28-16-18-41-19-17-28)21-25-12-14-27(15-13-25)26-7-2-1-3-8-26/h1-15,20,24,28,33-35,41-42H,16-19,21-23H2,(H2,40,46)(H,43,49)(H,44,47)(H,45,48)/t33-,34+,35+/m0/s1.

What are the key properties of N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide?

N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 674.80 g/mol, XLogP of 3.40, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 25185611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).