N-[1-[2-(2-azanylpropanoylamino)ethylamino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[2-(2-azanylpropanoylamino)ethylamino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[2-[2-(2-aminopropanoylamino)ethylamino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide CAS Name: N-[1-[2-[(2-amino-1-oxopropyl)amino]ethylamino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-(2-ethyl-1-oxobutyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[2-(2-aminopropanoylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-[2-(alanylamino)ethylamino]-2-keto-1-(2-naphthylmethyl)ethyl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide Formula: C29H41N5O4 MolecularWeight: 523.66694

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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)NCCNC(=O)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C29H41N5O4/c1-4-21(5-2)29(38)34-16-8-11-25(34)28(37)33-24(27(36)32-15-14-31-26(35)19(3)30)18-20-12-13-22-9-6-7-10-23(22)17-20/h6-7,9-10,12-13,17,19,21,24-25H,4-5,8,11,14-16,18,30H2,1-3H3,(H,31,35)(H,32,36)(H,33,37)