[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(aminocarbonylamino)-4-methyl-pentanoate

Systemtic Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: [2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 4-methyl-2-ureido-pentanoate CAS Name: 2-(carbamoylamino)-4-methylpentanoic acid [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate Traditional Name: 4-methyl-2-ureido-valeric acid [2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C(CC(C)C)NC(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C(CC(C)C)NC(=O)N

InChI

InChI=1S/C20H27N3O4S/c1-12(2)8-17(22-20(21)26)19(25)27-11-18(24)16-9-13(3)23(14(16)4)10-15-6-5-7-28-15/h5-7,9,12,17H,8,10-11H2,1-4H3,(H3,21,22,26)