1-(2-acetamido-3-sulfanyl-propanoyl)-N-[1-[(1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-acetamido-3-sulfanyl-propanoyl)-N-[1-[(1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-acetamido-3-sulfanyl-propanoyl)-N-[2-[[2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-benzyl-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-acetamido-3-mercapto-1-oxopropyl)-N-[1-[(1-amino-3-mercapto-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-acetamido-3-sulfanylpropanoyl)-N-[1-[(1-amino-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(2-acetamido-3-mercapto-propanoyl)-N-[2-[[2-amino-2-keto-1-(mercaptomethyl)ethyl]amino]-1-benzyl-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C22H31N5O5S2 MolecularWeight: 509.64204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CS)C(=O)N

Isomeric SMILES

CC(=O)NC(CS)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CS)C(=O)N

InChI

InChI=1S/C22H31N5O5S2/c1-13(28)24-17(12-34)22(32)27-9-5-8-18(27)21(31)25-15(10-14-6-3-2-4-7-14)20(30)26-16(11-33)19(23)29/h2-4,6-7,15-18,33-34H,5,8-12H2,1H3,(H2,23,29)(H,24,28)(H,25,31)(H,26,30)