N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(4-tert-butylcyclohexyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(4-tert-butylcyclohexyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-(4-tert-butylcyclohexanecarbonyl)pyrrolidine-2-carboxamide CAS Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-[(4-tert-butylcyclohexyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-tert-butylcyclohexanecarbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]-1-(4-tert-butylcyclohexanecarbonyl)pyrrolidine-2-carboxamide Formula: C32H46N4O4 MolecularWeight: 550.73204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)N2CCCC2C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCC(CN)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)N2CCCC2C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCC(CN)O

InChI

InChI=1S/C32H46N4O4/c1-32(2,3)25-14-12-23(13-15-25)31(40)36-16-6-9-28(36)30(39)35-27(29(38)34-20-26(37)19-33)18-21-10-11-22-7-4-5-8-24(22)17-21/h4-5,7-8,10-11,17,23,25-28,37H,6,9,12-16,18-20,33H2,1-3H3,(H,34,38)(H,35,39)