1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide

C33H36N6O5 — CID 10282106

About 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide

1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide (PubChem CID 10282106) has the molecular formula C33H36N6O5 and a molecular weight of 596.69 g/mol. Its IUPAC name is 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 10282106
• Molecular Formula: C33H36N6O5
• Molecular Weight: 596.69 g/mol
• Exact Mass: 596.27
• IUPAC Name: 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
• SMILES: NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1(NC(=O)C(N)Cc2ccc(O)cc2)CC1
• InChI: InChI=1S/C33H36N6O5/c34-25(16-21-10-12-23(40)13-11-21)30(42)39-33(14-15-33)32(44)38-28(18-22-19-36-26-9-5-4-8-24(22)26)31(43)37-27(29(35)41)17-20-6-2-1-3-7-20/h1-13,19,25,27-28,36,40H,14-18,34H2,(H2,35,41)(H,37,43)(H,38,44)(H,39,42)
• InChIKey: JASVKAZFFVQLQD-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 192.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.69
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide (CID 10282106) is 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide is NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1(NC(=O)C(N)Cc2ccc(O)cc2)CC1.

What is the InChIKey of 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide?

The InChIKey is JASVKAZFFVQLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N6O5/c34-25(16-21-10-12-23(40)13-11-21)30(42)39-33(14-15-33)32(44)38-28(18-22-19-36-26-9-5-4-8-24(22)26)31(43)37-27(29(35)41)17-20-6-2-1-3-7-20/h1-13,19,25,27-28,36,40H,14-18,34H2,(H2,35,41)(H,37,43)(H,38,44)(H,39,42).

What are the key properties of 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide?

1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 596.69 g/mol, XLogP of 1.33, 13 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 10282106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).