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

Systemtic Name: cyclohexyl 2-[[3-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]methylamino]-2-cyclopentyl-ethanoate Openeye Name: cyclohexyl 2-[[3-(4-carbamoyl-5-ureido-2-thienyl)phenyl]methylamino]-2-cyclopentyl-acetate CAS Name: 2-[[3-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenyl]methylamino]-2-cyclopentylacetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]-2-cyclopentylacetate Traditional Name: 2-[[3-(4-carbamoyl-5-ureido-2-thienyl)benzyl]amino]-2-cyclopentyl-acetic acid cyclohexyl ester Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C2CCCC2)NCC3=CC=CC(=C3)C4=CC(=C(S4)NC(=O)N)C(=O)N

Isomeric SMILES

C1CCC(CC1)OC(=O)C(C2CCCC2)NCC3=CC=CC(=C3)C4=CC(=C(S4)NC(=O)N)C(=O)N

InChI

InChI=1S/C26H34N4O4S/c27-23(31)20-14-21(35-24(20)30-26(28)33)18-10-6-7-16(13-18)15-29-22(17-8-4-5-9-17)25(32)34-19-11-2-1-3-12-19/h6-7,10,13-14,17,19,22,29H,1-5,8-9,11-12,15H2,(H2,27,31)(H3,28,30,33)