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

Systemtic Name: 4-[(2-azanyl-3-phenyl-propanoyl)amino]-5-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(2-amino-3-phenyl-propanoyl)amino]-5-[[2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[(2-amino-1-oxo-3-phenylpropyl)amino]-5-[[2-(carboxymethylamino)-2-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 4-[(2-amino-3-phenylpropanoyl)amino]-5-[[2-(carboxymethylamino)-2-oxoethyl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-4-(phenylalanylamino)valeric acid Formula: C18H24N4O7 MolecularWeight: 408.40576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O7/c19-12(8-11-4-2-1-3-5-11)17(28)22-13(6-7-15(24)25)18(29)21-9-14(23)20-10-16(26)27/h1-5,12-13H,6-10,19H2,(H,20,23)(H,21,29)(H,22,28)(H,24,25)(H,26,27)