[1-[7-(aminocarbonylamino)heptylamino]-3-(1-benzofuran-3-yl)-2-methyl-1-oxidanylidene-propan-2-yl]carbamic acid

Systemtic Name: [1-[7-(aminocarbonylamino)heptylamino]-3-(1-benzofuran-3-yl)-2-methyl-1-oxidanylidene-propan-2-yl]carbamic acid Openeye Name: [1-(benzofuran-3-ylmethyl)-1-methyl-2-oxo-2-(7-ureidoheptylamino)ethyl]carbamic acid CAS Name: [3-(3-benzofuranyl)-1-[7-(carbamoylamino)heptylamino]-2-methyl-1-oxopropan-2-yl]carbamic acid IUPAC Name: [3-(1-benzofuran-3-yl)-1-[7-(carbamoylamino)heptylamino]-2-methyl-1-oxopropan-2-yl]carbamic acid Traditional Name: [1-(benzofuran-3-ylmethyl)-2-keto-1-methyl-2-(7-ureidoheptylamino)ethyl]carbamic acid Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=COC2=CC=CC=C21)(C(=O)NCCCCCCCNC(=O)N)NC(=O)O

Isomeric SMILES

CC(CC1=COC2=CC=CC=C21)(C(=O)NCCCCCCCNC(=O)N)NC(=O)O

InChI

InChI=1S/C21H30N4O5/c1-21(25-20(28)29,13-15-14-30-17-10-6-5-9-16(15)17)18(26)23-11-7-3-2-4-8-12-24-19(22)27/h5-6,9-10,14,25H,2-4,7-8,11-13H2,1H3,(H,23,26)(H,28,29)(H3,22,24,27)