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

Systemtic Name: 4-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[3-hydroxy-2-(tyrosylamino)propanoyl]amino]-4-keto-butyric acid Formula: C16H22N4O7 MolecularWeight: 382.36848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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