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

Systemtic Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-cyclopropylcarbonyl-piperidin-4-yl]-5-methyl-N-phenethyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(cyclopropanecarbonyl)-4-piperidyl]-5-methyl-N-phenethyl-isoxazole-3-carboxamide CAS Name: N-[(2R)-2-[[[4-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-5-methyl-N-phenethyl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-N-phenethyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(cyclopropanecarbonyl)-4-piperidyl]-5-methyl-N-phenethyl-isoxazole-3-carboxamide Formula: C31H43N5O4 MolecularWeight: 549.70422

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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)C5CC5

Isomeric SMILES

CC1=CC(=NO1)C(=O)N(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NCC4CCC(CC4)CN)C(=O)C5CC5

InChI

InChI=1S/C31H43N5O4/c1-21-17-27(34-40-21)31(39)35(15-13-22-5-3-2-4-6-22)26-14-16-36(30(38)25-11-12-25)28(18-26)29(37)33-20-24-9-7-23(19-32)8-10-24/h2-6,17,23-26,28H,7-16,18-20,32H2,1H3,(H,33,37)/t23?,24?,26?,28-/m1/s1