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

Systemtic Name: 2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]-methyl-amino]-3-(4-hydroxyphenyl)-2-methyl-propanoic acid Openeye Name: 2-[(2,4-diamino-4-oxo-butanoyl)-methyl-amino]-3-(4-hydroxyphenyl)-2-methyl-propanoic acid CAS Name: 2-[(2,4-diamino-1,4-dioxobutyl)-methylamino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid IUPAC Name: 2-[(2,4-diamino-4-oxobutanoyl)-methylamino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid Traditional Name: 2-[(2,4-diamino-4-keto-butanoyl)-methyl-amino]-3-(4-hydroxyphenyl)-2-methyl-propionic acid Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-15(14(22)23,8-9-3-5-10(19)6-4-9)18(2)13(21)11(16)7-12(17)20/h3-6,11,19H,7-8,16H2,1-2H3,(H2,17,20)(H,22,23)