2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[(2,4-diamino-4-oxo-butanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[(2,4-diamino-1,4-dioxobutyl)amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(2,4-diamino-4-oxobutanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(2,4-diamino-4-keto-butanoyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CC(=O)N)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CC(=O)N)N)O

InChI

InChI=1S/C13H17N3O5/c14-9(6-11(15)18)12(19)16-10(13(20)21)5-7-1-3-8(17)4-2-7/h1-4,9-10,17H,5-6,14H2,(H2,15,18)(H,16,19)(H,20,21)