4-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[3-(1H-imidazol-5-yl)-2-(tyrosylamino)propanoyl]amino]-4-keto-butyric acid Formula: C19H24N6O6 MolecularWeight: 432.43046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CC2=CN=CN2)C(=O)NC(CC(=O)N)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CC2=CN=CN2)C(=O)NC(CC(=O)N)C(=O)O)N)O

InChI

InChI=1S/C19H24N6O6/c20-13(5-10-1-3-12(26)4-2-10)17(28)24-14(6-11-8-22-9-23-11)18(29)25-15(19(30)31)7-16(21)27/h1-4,8-9,13-15,26H,5-7,20H2,(H2,21,27)(H,22,23)(H,24,28)(H,25,29)(H,30,31)