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

Systemtic Name: 4-azanyl-5-[[1-(carboxymethylamino)-3-naphthalen-1-ylsulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[2-(carboxymethylamino)-1-(1-naphthylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-(carboxymethylamino)-3-(1-naphthalenylthio)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-(carboxymethylamino)-3-naphthalen-1-ylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[2-(carboxymethylamino)-2-keto-1-[(1-naphthylthio)methyl]ethyl]amino]-5-keto-valeric acid Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2SCC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2SCC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C20H23N3O6S/c21-14(8-9-17(24)25)19(28)23-15(20(29)22-10-18(26)27)11-30-16-7-3-5-12-4-1-2-6-13(12)16/h1-7,14-15H,8-11,21H2,(H,22,29)(H,23,28)(H,24,25)(H,26,27)