(3S)-3-(2-methylpropanoylamino)-2-oxidanylidene-4-phenyl-N-[2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]ethyl]butanamide

Systemtic Name: (3S)-3-(2-methylpropanoylamino)-2-oxidanylidene-4-phenyl-N-[2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]ethyl]butanamide Openeye Name: (3S)-3-(2-methylpropanoylamino)-2-oxo-4-phenyl-N-[2-[[5-(2-pyridyl)-2-thienyl]sulfonylamino]ethyl]butanamide CAS Name: (3S)-3-[(2-methyl-1-oxopropyl)amino]-2-oxo-4-phenyl-N-[2-[[5-(2-pyridinyl)-2-thiophenyl]sulfonylamino]ethyl]butanamide IUPAC Name: (3S)-3-(2-methylpropanoylamino)-2-oxo-4-phenyl-N-[2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]ethyl]butanamide Traditional Name: (3S)-3-(isobutyrylamino)-2-keto-4-phenyl-N-[2-[[5-(2-pyridyl)-2-thienyl]sulfonylamino]ethyl]butyramide Formula: C25H28N4O5S2 MolecularWeight: 528.64362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)C(=O)NCCNS(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3

Isomeric SMILES

CC(C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(=O)NCCNS(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3

InChI

InChI=1S/C25H28N4O5S2/c1-17(2)24(31)29-20(16-18-8-4-3-5-9-18)23(30)25(32)27-14-15-28-36(33,34)22-12-11-21(35-22)19-10-6-7-13-26-19/h3-13,17,20,28H,14-16H2,1-2H3,(H,27,32)(H,29,31)/t20-/m0/s1