2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-(2-oxidanyl-1-phenyl-ethyl)sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-(2-oxidanyl-1-phenyl-ethyl)sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(2-hydroxy-1-phenyl-ethyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(2-hydroxy-1-phenylethyl)thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-(2-hydroxy-1-phenylethyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[(2-hydroxy-1-phenyl-ethyl)thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C18H25N3O7S MolecularWeight: 427.472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O7S/c19-12(18(27)28)6-7-15(23)21-13(17(26)20-8-16(24)25)10-29-14(9-22)11-4-2-1-3-5-11/h1-5,12-14,22H,6-10,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)