5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid

C34H50N8O10 — CID 3675709

About 5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid

5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid (PubChem CID 3675709) has the molecular formula C34H50N8O10 and a molecular weight of 730.82 g/mol. Its IUPAC name is 5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 3675709
• Molecular Formula: C34H50N8O10
• Molecular Weight: 730.82 g/mol
• Exact Mass: 730.36
• IUPAC Name: 5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid
• SMILES: CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
• InChI: InChI=1S/C34H50N8O10/c1-7-18(2)28(42-33(50)52-34(4,5)6)31(49)41-23(12-13-26(44)45)29(47)38-17-25(43)40-22(9-8-14-37-32(35)36)30(48)39-20-10-11-21-19(3)15-27(46)51-24(21)16-20/h10-11,15-16,18,22-23,28H,7-9,12-14,17H2,1-6H3,(H,38,47)(H,39,48)(H,40,43)(H,41,49)(H,42,50)(H,44,45)(H4,35,36,37)
• InChIKey: YWSYLEUAJLDOJG-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 286.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.82
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of 5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid (CID 3675709) is 5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for 5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid is CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1.

What is the InChIKey of 5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is YWSYLEUAJLDOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N8O10/c1-7-18(2)28(42-33(50)52-34(4,5)6)31(49)41-23(12-13-26(44)45)29(47)38-17-25(43)40-22(9-8-14-37-32(35)36)30(48)39-20-10-11-21-19(3)15-27(46)51-24(21)16-20/h10-11,15-16,18,22-23,28H,7-9,12-14,17H2,1-6H3,(H,38,47)(H,39,48)(H,40,43)(H,41,49)(H,42,50)(H,44,45)(H4,35,36,37).

What are the key properties of 5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid?

5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 730.82 g/mol, XLogP of 0.98, 18 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 3675709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).