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

Systemtic Name: (2S)-1-(2-ethylbutanoyl)-N-[(2R)-3-naphthalen-2-yl-1-oxidanylidene-1-[3-[(phenylmethyl)amino]propylamino]propan-2-yl]pyrrolidine-2-carboxamide hydrochloride Openeye Name: (2S)-N-[(1R)-2-[3-(benzylamino)propylamino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide hydrochloride CAS Name: (2S)-1-(2-ethyl-1-oxobutyl)-N-[(2R)-3-(2-naphthalenyl)-1-oxo-1-[3-[(phenylmethyl)amino]propylamino]propan-2-yl]-2-pyrrolidinecarboxamide hydrochloride IUPAC Name: (2S)-N-[(2R)-1-[3-(benzylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide hydrochloride Traditional Name: (2S)-N-[(1R)-2-[3-(benzylamino)propylamino]-2-keto-1-(2-naphthylmethyl)ethyl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide hydrochloride Formula: C34H45ClN4O3 MolecularWeight: 593.1991

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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)NCCCNCC4=CC=CC=C4.Cl

Isomeric SMILES

CCC(CC)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)NCCCNCC4=CC=CC=C4.Cl

InChI

InChI=1S/C34H44N4O3.ClH/c1-3-27(4-2)34(41)38-21-10-16-31(38)33(40)37-30(23-26-17-18-28-14-8-9-15-29(28)22-26)32(39)36-20-11-19-35-24-25-12-6-5-7-13-25;/h5-9,12-15,17-18,22,27,30-31,35H,3-4,10-11,16,19-21,23-24H2,1-2H3,(H,36,39)(H,37,40);1H/t30-,31+;/m1./s1