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

Systemtic Name: N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide CAS Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-(2-ethyl-1-oxohexyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide Formula: C29H42N4O4 MolecularWeight: 510.66818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCC(CN)O

Isomeric SMILES

CCCCC(CC)C(=O)N1CCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCC(CN)O

InChI

InChI=1S/C29H42N4O4/c1-3-5-9-21(4-2)29(37)33-15-8-12-26(33)28(36)32-25(27(35)31-19-24(34)18-30)17-20-13-14-22-10-6-7-11-23(22)16-20/h6-7,10-11,13-14,16,21,24-26,34H,3-5,8-9,12,15,17-19,30H2,1-2H3,(H,31,35)(H,32,36)