2-azanyl-2-(1-azanylbutyl)-3-ethenyl-4,7-bis(oxidanylidene)-3-[(phenylmethyl)amino]heptanoic acid

Systemtic Name: 2-azanyl-2-(1-azanylbutyl)-3-ethenyl-4,7-bis(oxidanylidene)-3-[(phenylmethyl)amino]heptanoic acid Openeye Name: 2-amino-2-(1-aminobutyl)-3-(benzylamino)-4,7-dioxo-3-vinyl-heptanoic acid CAS Name: 2-amino-2-(1-aminobutyl)-3-ethenyl-4,7-dioxo-3-[(phenylmethyl)amino]heptanoic acid IUPAC Name: 2-amino-2-(1-aminobutyl)-3-(benzylamino)-3-ethenyl-4,7-dioxoheptanoic acid Traditional Name: 2-amino-2-(1-aminobutyl)-3-(benzylamino)-3-(4-ketobutanoyl)pent-4-enoic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)O)(C(C=C)(C(=O)CCC=O)NCC1=CC=CC=C1)N)N

Isomeric SMILES

CCCC(C(C(=O)O)(C(C=C)(C(=O)CCC=O)NCC1=CC=CC=C1)N)N

InChI

InChI=1S/C20H29N3O4/c1-3-9-16(21)20(22,18(26)27)19(4-2,17(25)12-8-13-24)23-14-15-10-6-5-7-11-15/h4-7,10-11,13,16,23H,2-3,8-9,12,14,21-22H2,1H3,(H,26,27)