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

Systemtic Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-thiophen-2-ylcarbonyl-piperidin-4-yl]-N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(thiophene-2-carbonyl)-4-piperidyl]-N-cyclopropyl-5-methyl-isoxazole-3-carboxamide CAS Name: N-[(2R)-2-[[[4-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]-N-cyclopropyl-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(thiophene-2-carbonyl)piperidin-4-yl]-N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(2-thenoyl)-4-piperidyl]-N-cyclopropyl-5-methyl-isoxazole-3-carboxamide Formula: C27H37N5O4S MolecularWeight: 527.67878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N(C2CC2)C3CCN(C(C3)C(=O)NCC4CCC(CC4)CN)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC(=NO1)C(=O)N(C2CC2)C3CCN([C@H](C3)C(=O)NCC4CCC(CC4)CN)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H37N5O4S/c1-17-13-22(30-36-17)26(34)32(20-8-9-20)21-10-11-31(27(35)24-3-2-12-37-24)23(14-21)25(33)29-16-19-6-4-18(15-28)5-7-19/h2-3,12-13,18-21,23H,4-11,14-16,28H2,1H3,(H,29,33)/t18?,19?,21?,23-/m1/s1