N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(2-cyclohexylethanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(2-cyclohexylethanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-(2-cyclohexylacetyl)pyrrolidine-2-carboxamide CAS Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-(2-cyclohexyl-1-oxoethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-cyclohexylacetyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]-1-(2-cyclohexylacetyl)pyrrolidine-2-carboxamide Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O4/c30-18-24(34)19-31-28(36)25(16-21-12-13-22-9-4-5-10-23(22)15-21)32-29(37)26-11-6-14-33(26)27(35)17-20-7-2-1-3-8-20/h4-5,9-10,12-13,15,20,24-26,34H,1-3,6-8,11,14,16-19,30H2,(H,31,36)(H,32,37)