(2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide

C30H38N4O6 — CID 171395623

About (2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide

(2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide (PubChem CID 171395623) has the molecular formula C30H38N4O6 and a molecular weight of 550.66 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide.

Molecular Properties

• Compound Name: (2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
• PubChem CID: 171395623
• Molecular Formula: C30H38N4O6
• Molecular Weight: 550.66 g/mol
• Exact Mass: 550.28
• IUPAC Name: (2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
• SMILES: Cc1cc(=O)oc2cc(NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)C(C)C)ccc12
• InChI: InChI=1S/C30H38N4O6/c1-16(2)12-23(31)28(37)34-27(17(3)4)30(39)33-24(14-19-6-9-21(35)10-7-19)29(38)32-20-8-11-22-18(5)13-26(36)40-25(22)15-20/h6-11,13,15-17,23-24,27,35H,12,14,31H2,1-5H3,(H,32,38)(H,33,39)(H,34,37)/t23-,24-,27-/m1/s1
• InChIKey: LCXURRLYDBPUAM-FKCDAAJZSA-N
• XLogP: 2.99
• TPSA: 163.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.66
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide?

The IUPAC name of (2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide (CID 171395623) is (2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide.

What is the SMILES notation for (2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide?

The canonical SMILES for (2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide is Cc1cc(=O)oc2cc(NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)C(C)C)ccc12.

What is the InChIKey of (2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide?

The InChIKey is LCXURRLYDBPUAM-FKCDAAJZSA-N. The full InChI is InChI=1S/C30H38N4O6/c1-16(2)12-23(31)28(37)34-27(17(3)4)30(39)33-24(14-19-6-9-21(35)10-7-19)29(38)32-20-8-11-22-18(5)13-26(36)40-25(22)15-20/h6-11,13,15-17,23-24,27,35H,12,14,31H2,1-5H3,(H,32,38)(H,33,39)(H,34,37)/t23-,24-,27-/m1/s1.

What are the key properties of (2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide?

(2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide has a molecular weight of 550.66 g/mol, XLogP of 2.99, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 171395623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).