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

Systemtic Name: N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(2,2-dimethylbutanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-(2,2-dimethylbutanoyl)pyrrolidine-2-carboxamide CAS Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-(2,2-dimethyl-1-oxobutyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylbutanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]-1-(2,2-dimethylbutanoyl)pyrrolidine-2-carboxamide Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O4/c1-4-27(2,3)26(35)31-13-7-10-23(31)25(34)30-22(24(33)29-17-21(32)16-28)15-18-11-12-19-8-5-6-9-20(19)14-18/h5-6,8-9,11-12,14,21-23,32H,4,7,10,13,15-17,28H2,1-3H3,(H,29,33)(H,30,34)