2-[2-[[1-(ethylcarbamoyl)-4-sulfanyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[[1-(ethylcarbamoyl)-4-sulfanyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[[1-(ethylcarbamoyl)-4-sulfanyl-pyrrolidine-2-carbonyl]-methyl-amino]acetyl]amino]benzoic acid CAS Name: 2-[[2-[[[1-(ethylcarbamoyl)-4-mercapto-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[[1-(ethylcarbamoyl)-4-sulfanylpyrrolidine-2-carbonyl]-methylamino]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[[1-(ethylcarbamoyl)-4-mercapto-prolyl]-methyl-amino]acetyl]amino]benzoic acid Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CC(CC1C(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)O)S

Isomeric SMILES

CCNC(=O)N1CC(CC1C(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)O)S

InChI

InChI=1S/C18H24N4O5S/c1-3-19-18(27)22-9-11(28)8-14(22)16(24)21(2)10-15(23)20-13-7-5-4-6-12(13)17(25)26/h4-7,11,14,28H,3,8-10H2,1-2H3,(H,19,27)(H,20,23)(H,25,26)