2-[[(3-aminocarbonyl-4-oxidanyl-naphthalen-1-yl)oxycarbonyl-methyl-amino]-methyl-carbamoyl]sulfanylethanoic acid

Systemtic Name: 2-[[(3-aminocarbonyl-4-oxidanyl-naphthalen-1-yl)oxycarbonyl-methyl-amino]-methyl-carbamoyl]sulfanylethanoic acid Openeye Name: 2-[[(3-carbamoyl-4-hydroxy-1-naphthyl)oxycarbonyl-methyl-amino]-methyl-carbamoyl]sulfanylacetic acid CAS Name: 2-[[[[[(3-carbamoyl-4-hydroxy-1-naphthalenyl)oxy-oxomethyl]-methylamino]-methylamino]-oxomethyl]thio]acetic acid IUPAC Name: 2-[[(3-carbamoyl-4-hydroxynaphthalen-1-yl)oxycarbonyl-methylamino]-methylcarbamoyl]sulfanylacetic acid Traditional Name: 2-[[[(3-carbamoyl-4-hydroxy-1-naphthoxy)carbonyl-methyl-amino]-methyl-carbamoyl]thio]acetic acid Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)OC1=CC(=C(C2=CC=CC=C21)O)C(=O)N)N(C)C(=O)SCC(=O)O

Isomeric SMILES

CN(C(=O)OC1=CC(=C(C2=CC=CC=C21)O)C(=O)N)N(C)C(=O)SCC(=O)O

InChI

InChI=1S/C17H17N3O7S/c1-19(20(2)17(26)28-8-13(21)22)16(25)27-12-7-11(15(18)24)14(23)10-6-4-3-5-9(10)12/h3-7,23H,8H2,1-2H3,(H2,18,24)(H,21,22)