[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2)C3CCCC3)C

InChI

InChI=1S/C25H30N4O5S/c1-16-17(2)29(18-6-3-4-7-18)25(19(16)14-26)28-23(32)15-34-24(33)11-12-27-22(31)10-9-20(30)21-8-5-13-35-21/h5,8,13,18H,3-4,6-7,9-12,15H2,1-2H3,(H,27,31)(H,28,32)