6-azanyl-2-[ethylcarbamoyl-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[ethylcarbamoyl-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-amino]hexanoic acid Openeye Name: 6-amino-2-[ethylcarbamoyl-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[ethylcarbamoyl-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[ethylcarbamoyl-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]hexanoic acid Traditional Name: 6-amino-2-[ethylcarbamoyl-(1-tosylprolyl)amino]hexanoic acid Formula: C21H32N4O6S MolecularWeight: 468.56698

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(C(CCCCN)C(=O)O)C(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCNC(=O)N(C(CCCCN)C(=O)O)C(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H32N4O6S/c1-3-23-21(29)25(18(20(27)28)7-4-5-13-22)19(26)17-8-6-14-24(17)32(30,31)16-11-9-15(2)10-12-16/h9-12,17-18H,3-8,13-14,22H2,1-2H3,(H,23,29)(H,27,28)