2-[[2-azanyl-4-(methylamino)-4-oxidanylidene-butanoyl]amino]-2-(4-hydroxyphenyl)ethanoic acid

Systemtic Name: 2-[[2-azanyl-4-(methylamino)-4-oxidanylidene-butanoyl]amino]-2-(4-hydroxyphenyl)ethanoic acid Openeye Name: 2-[[2-amino-4-(methylamino)-4-oxo-butanoyl]amino]-2-(4-hydroxyphenyl)acetic acid CAS Name: 2-[[2-amino-4-(methylamino)-1,4-dioxobutyl]amino]-2-(4-hydroxyphenyl)acetic acid IUPAC Name: 2-[[2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetic acid Traditional Name: 2-[[2-amino-4-keto-4-(methylamino)butanoyl]amino]-2-(4-hydroxyphenyl)acetic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-15-10(18)6-9(14)12(19)16-11(13(20)21)7-2-4-8(17)5-3-7/h2-5,9,11,17H,6,14H2,1H3,(H,15,18)(H,16,19)(H,20,21)