2-azanyl-5-[[1-(carboxymethylamino)-3-[(4-chlorophenyl)carbamoylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-[(4-chlorophenyl)carbamoylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(4-chlorophenyl)carbamoylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[[(4-chloroanilino)-oxomethyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(4-chlorophenyl)carbamoylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[(4-chlorophenyl)carbamoylthio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C17H21ClN4O7S MolecularWeight: 460.88924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Cl

InChI

InChI=1S/C17H21ClN4O7S/c18-9-1-3-10(4-2-9)21-17(29)30-8-12(15(26)20-7-14(24)25)22-13(23)6-5-11(19)16(27)28/h1-4,11-12H,5-8,19H2,(H,20,26)(H,21,29)(H,22,23)(H,24,25)(H,27,28)