(2S)-1-(2-ethylbutanoyl)-N-[(2R)-1-[3-(methylamino)propylamino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(2-ethylbutanoyl)-N-[(2R)-1-[3-(methylamino)propylamino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(2-ethylbutanoyl)-N-[(1R)-2-[3-(methylamino)propylamino]-1-(2-naphthylmethyl)-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(2-ethyl-1-oxobutyl)-N-[(2R)-1-[3-(methylamino)propylamino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(2-ethylbutanoyl)-N-[(2R)-1-[3-(methylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(2-ethylbutanoyl)-N-[(1R)-2-keto-2-[3-(methylamino)propylamino]-1-(2-naphthylmethyl)ethyl]pyrrolidine-2-carboxamide Formula: C28H40N4O3 MolecularWeight: 480.6422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)NCCCNC

InChI

InChI=1S/C28H40N4O3/c1-4-21(5-2)28(35)32-17-8-12-25(32)27(34)31-24(26(33)30-16-9-15-29-3)19-20-13-14-22-10-6-7-11-23(22)18-20/h6-7,10-11,13-14,18,21,24-25,29H,4-5,8-9,12,15-17,19H2,1-3H3,(H,30,33)(H,31,34)/t24-,25+/m1/s1