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

Systemtic Name: 2-[[5-azanyl-2-[2-(2-azanylpropanoylamino)propanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxo-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[5-amino-2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[2-(alanylamino)propanoylamino]-5-amino-5-keto-pentanoyl]amino]-3-methyl-butyric acid Formula: C16H29N5O6 MolecularWeight: 387.43136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N5O6/c1-7(2)12(16(26)27)21-15(25)10(5-6-11(18)22)20-14(24)9(4)19-13(23)8(3)17/h7-10,12H,5-6,17H2,1-4H3,(H2,18,22)(H,19,23)(H,20,24)(H,21,25)(H,26,27)