2-[[5-azanyl-2-[2-(2-azanylpropanoylamino)propanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[5-azanyl-2-[2-(2-azanylpropanoylamino)propanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxo-pentanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[5-amino-2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[2-(alanylamino)propanoylamino]-5-amino-5-keto-pentanoyl]amino]-3-methyl-valeric acid Formula: C17H31N5O6 MolecularWeight: 401.45794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)N

InChI

InChI=1S/C17H31N5O6/c1-5-8(2)13(17(27)28)22-16(26)11(6-7-12(19)23)21-15(25)10(4)20-14(24)9(3)18/h8-11,13H,5-7,18H2,1-4H3,(H2,19,23)(H,20,24)(H,21,25)(H,22,26)(H,27,28)