N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-thiophen-2-ylcarbonyl-piperidin-4-yl]-5-methyl-N-phenethyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-thiophen-2-ylcarbonyl-piperidin-4-yl]-5-methyl-N-phenethyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(thiophene-2-carbonyl)-4-piperidyl]-5-methyl-N-phenethyl-isoxazole-3-carboxamide CAS Name: N-[(2R)-2-[[[4-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]-5-methyl-N-phenethyl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(thiophene-2-carbonyl)piperidin-4-yl]-5-methyl-N-phenethyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(2-thenoyl)-4-piperidyl]-5-methyl-N-phenethyl-isoxazole-3-carboxamide Formula: C32H41N5O4S MolecularWeight: 591.76404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NCC4CCC(CC4)CN)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC(=NO1)C(=O)N(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NCC4CCC(CC4)CN)C(=O)C5=CC=CS5

InChI

InChI=1S/C32H41N5O4S/c1-22-18-27(35-41-22)31(39)36(15-13-23-6-3-2-4-7-23)26-14-16-37(32(40)29-8-5-17-42-29)28(19-26)30(38)34-21-25-11-9-24(20-33)10-12-25/h2-8,17-18,24-26,28H,9-16,19-21,33H2,1H3,(H,34,38)/t24?,25?,26?,28-/m1/s1