4-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-(carboxymethylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-(carboxymethylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-(carboxymethylamino)-5-oxo-pentanoic acid CAS Name: 4-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid IUPAC Name: 4-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid Traditional Name: 5-(carboxymethylamino)-4-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]-5-keto-valeric acid Formula: C20H26N4O9 MolecularWeight: 466.44184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O)N

InChI

InChI=1S/C20H26N4O9/c21-12(8-11-4-2-1-3-5-11)18(31)24-14(9-16(27)28)20(33)23-13(6-7-15(25)26)19(32)22-10-17(29)30/h1-5,12-14H,6-10,21H2,(H,22,32)(H,23,33)(H,24,31)(H,25,26)(H,27,28)(H,29,30)