cyclopentyl 2-[[3-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]methylamino]-2-methyl-propanoate

Systemtic Name: cyclopentyl 2-[[3-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]methylamino]-2-methyl-propanoate Openeye Name: cyclopentyl 2-[[3-(4-carbamoyl-5-ureido-2-thienyl)phenyl]methylamino]-2-methyl-propanoate CAS Name: 2-[[3-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenyl]methylamino]-2-methylpropanoic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-[[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]-2-methylpropanoate Traditional Name: 2-[[3-(4-carbamoyl-5-ureido-2-thienyl)benzyl]amino]-2-methyl-propionic acid cyclopentyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC1CCCC1)NCC2=CC=CC(=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N

Isomeric SMILES

CC(C)(C(=O)OC1CCCC1)NCC2=CC=CC(=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N

InChI

InChI=1S/C22H28N4O4S/c1-22(2,20(28)30-15-8-3-4-9-15)25-12-13-6-5-7-14(10-13)17-11-16(18(23)27)19(31-17)26-21(24)29/h5-7,10-11,15,25H,3-4,8-9,12H2,1-2H3,(H2,23,27)(H3,24,26,29)