3-[(2-azanyl-3-phenyl-propanoyl)amino]-4-[[1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(2-azanyl-3-phenyl-propanoyl)amino]-4-[[1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-amino-3-phenyl-propanoyl)amino]-4-[[2-(carboxymethylamino)-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[(2-amino-3-phenylpropanoyl)amino]-4-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(carboxymethylamino)-2-keto-1-methyl-ethyl]amino]-4-keto-3-(phenylalanylamino)butyric acid Formula: C18H24N4O7 MolecularWeight: 408.40576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C18H24N4O7/c1-10(16(27)20-9-15(25)26)21-18(29)13(8-14(23)24)22-17(28)12(19)7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,19H2,1H3,(H,20,27)(H,21,29)(H,22,28)(H,23,24)(H,25,26)