2-[[4-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[4-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[4-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[4-amino-2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[4-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C16H22N4O7 MolecularWeight: 382.36848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O7/c17-10(7-21)14(24)19-11(6-13(18)23)15(25)20-12(16(26)27)5-8-1-3-9(22)4-2-8/h1-4,10-12,21-22H,5-7,17H2,(H2,18,23)(H,19,24)(H,20,25)(H,26,27)