5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide

C24H41N7O8 — CID 135184166

About 5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide

5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide (PubChem CID 135184166) has the molecular formula C24H41N7O8 and a molecular weight of 555.63 g/mol. Its IUPAC name is 5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide.

Molecular Properties

• Compound Name: 5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide
• PubChem CID: 135184166
• Molecular Formula: C24H41N7O8
• Molecular Weight: 555.63 g/mol
• Exact Mass: 555.30
• IUPAC Name: 5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide
• SMILES: CC[C@@H](C)[C@H](NC(=O)C(CCC(N)=O)NC(=O)C(CCC(=O)C(N)=O)NC(C)=O)C(=O)NC(C(N)=O)C(C)C
• InChI: InChI=1S/C24H41N7O8/c1-6-12(4)19(24(39)30-18(11(2)3)21(27)36)31-23(38)15(8-10-17(25)34)29-22(37)14(28-13(5)32)7-9-16(33)20(26)35/h11-12,14-15,18-19H,6-10H2,1-5H3,(H2,25,34)(H2,26,35)(H2,27,36)(H,28,32)(H,29,37)(H,30,39)(H,31,38)/t12-,14?,15?,18?,19+/m1/s1
• InChIKey: GDIRRZOGJYNDFA-IISMYTFCSA-N
• XLogP: -2.77
• TPSA: 262.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.63
LogP ≤ 5	-2.77
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide?

The IUPAC name of 5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide (CID 135184166) is 5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide.

What is the SMILES notation for 5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide?

The canonical SMILES for 5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide is CC[C@@H](C)[C@H](NC(=O)C(CCC(N)=O)NC(=O)C(CCC(=O)C(N)=O)NC(C)=O)C(=O)NC(C(N)=O)C(C)C.

What is the InChIKey of 5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide?

The InChIKey is GDIRRZOGJYNDFA-IISMYTFCSA-N. The full InChI is InChI=1S/C24H41N7O8/c1-6-12(4)19(24(39)30-18(11(2)3)21(27)36)31-23(38)15(8-10-17(25)34)29-22(37)14(28-13(5)32)7-9-16(33)20(26)35/h11-12,14-15,18-19H,6-10H2,1-5H3,(H2,25,34)(H2,26,35)(H2,27,36)(H,28,32)(H,29,37)(H,30,39)(H,31,38)/t12-,14?,15?,18?,19+/m1/s1.

What are the key properties of 5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide?

5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide has a molecular weight of 555.63 g/mol, XLogP of -2.77, 18 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetamido-N'-[5-amino-1-[[(2S,3R)-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-oxohexanediamide is sourced from PubChem (CID 135184166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).