(4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

C35H34N4O4 — CID 67802938

About (4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

(4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 67802938) has the molecular formula C35H34N4O4 and a molecular weight of 574.68 g/mol. Its IUPAC name is (4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: (4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
• PubChem CID: 67802938
• Molecular Formula: C35H34N4O4
• Molecular Weight: 574.68 g/mol
• Exact Mass: 574.26
• IUPAC Name: (4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
• SMILES: C[C@](Cc1ccccc1)(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccc(-c2ccccc2)cc1)C(N)=O
• InChI: InChI=1S/C35H34N4O4/c1-35(33(36)41,21-24-10-4-2-5-11-24)39-32(40)31(20-28-22-37-30-15-9-8-14-29(28)30)38-34(42)43-23-25-16-18-27(19-17-25)26-12-6-3-7-13-26/h2-19,22,31,37H,20-21,23H2,1H3,(H2,36,41)(H,38,42)(H,39,40)/t31-,35+/m0/s1
• InChIKey: JXIHVSVPXBAKPF-MFACQUFMSA-N
• XLogP: 5.28
• TPSA: 126.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.68
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

The IUPAC name of (4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (CID 67802938) is (4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for (4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

The canonical SMILES for (4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is C[C@](Cc1ccccc1)(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccc(-c2ccccc2)cc1)C(N)=O.

What is the InChIKey of (4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

The InChIKey is JXIHVSVPXBAKPF-MFACQUFMSA-N. The full InChI is InChI=1S/C35H34N4O4/c1-35(33(36)41,21-24-10-4-2-5-11-24)39-32(40)31(20-28-22-37-30-15-9-8-14-29(28)30)38-34(42)43-23-25-16-18-27(19-17-25)26-12-6-3-7-13-26/h2-19,22,31,37H,20-21,23H2,1H3,(H2,36,41)(H,38,42)(H,39,40)/t31-,35+/m0/s1.

What are the key properties of (4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

(4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 574.68 g/mol, XLogP of 5.28, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 67802938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).