2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate

C58H84N22O10 — CID 158974560

About 2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate

2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate (PubChem CID 158974560) has the molecular formula C58H84N22O10 and a molecular weight of 1255.49 g/mol. Its IUPAC name is 2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate.

Molecular Properties

• Compound Name: 2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate
• PubChem CID: 158974560
• Molecular Formula: C58H84N22O10
• Molecular Weight: 1255.49 g/mol
• Exact Mass: 1254.71
• IUPAC Name: 2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate
• SMILES: CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)NN.[2H]C([2H])([2H])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)NN.[2H]C([2H])([2H])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)OC
• InChI: InChI=1S/C20H28N6O4.2C19H28N8O3/c1-12(27)25-17(10-13-11-24-15-7-4-3-6-14(13)15)18(28)26-16(19(29)30-2)8-5-9-23-20(21)22;2*1-11(28)25-16(9-12-10-24-14-6-3-2-5-13(12)14)17(29)26-15(18(30)27-22)7-4-8-23-19(20)21/h3-4,6-7,11,16-17,24H,5,8-10H2,1-2H3,(H,25,27)(H,26,28)(H4,21,22,23);2*2-3,5-6,10,15-16,24H,4,7-9,22H2,1H3,(H,25,28)(H,26,29)(H,27,30)(H4,20,21,23)/i2*1D3
• InChIKey: JOFNMWJDVUGWNK-CKFJQVKPSA-N
• XLogP: -2.59
• TPSA: 551.71 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 15
• Rotatable Bonds: 32
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1255.49
LogP ≤ 5	-2.59
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate?

The IUPAC name of 2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate (CID 158974560) is 2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate.

What is the SMILES notation for 2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate?

The canonical SMILES for 2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)NN.[2H]C([2H])([2H])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)NN.[2H]C([2H])([2H])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)OC.

What is the InChIKey of 2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate?

The InChIKey is JOFNMWJDVUGWNK-CKFJQVKPSA-N. The full InChI is InChI=1S/C20H28N6O4.2C19H28N8O3/c1-12(27)25-17(10-13-11-24-15-7-4-3-6-14(13)15)18(28)26-16(19(29)30-2)8-5-9-23-20(21)22;2*1-11(28)25-16(9-12-10-24-14-6-3-2-5-13(12)14)17(29)26-15(18(30)27-22)7-4-8-23-19(20)21/h3-4,6-7,11,16-17,24H,5,8-10H2,1-2H3,(H,25,27)(H,26,28)(H4,21,22,23);2*2-3,5-6,10,15-16,24H,4,7-9,22H2,1H3,(H,25,28)(H,26,29)(H,27,30)(H4,20,21,23)/i2*1D3;.

What are the key properties of 2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate?

2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate has a molecular weight of 1255.49 g/mol, XLogP of -2.59, 32 rotatable bonds, 19 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide;N-[5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanamide;methyl 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-yl)-2-[(2,2,2-trideuterioacetyl)amino]propanoyl]amino]pentanoate is sourced from PubChem (CID 158974560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).