2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(2-aminopropanoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(alanylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyric acid Formula: C17H25N3O4 MolecularWeight: 335.3981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)N

InChI

InChI=1S/C17H25N3O4/c1-10(2)14(17(23)24)20-16(22)13(19-15(21)11(3)18)9-12-7-5-4-6-8-12/h4-8,10-11,13-14H,9,18H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)