2-[[4-[[1-(butylamino)propan-2-yloxycarbonylamino]methyl]-1-methyl-cyclohexyl]carbamoylamino]ethanoic acid

Systemtic Name: 2-[[4-[[1-(butylamino)propan-2-yloxycarbonylamino]methyl]-1-methyl-cyclohexyl]carbamoylamino]ethanoic acid Openeye Name: 2-[[4-[[[2-(butylamino)-1-methyl-ethoxy]carbonylamino]methyl]-1-methyl-cyclohexyl]carbamoylamino]acetic acid CAS Name: 2-[[[[4-[[[1-(butylamino)propan-2-yloxy-oxomethyl]amino]methyl]-1-methylcyclohexyl]amino]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[1-(butylamino)propan-2-yloxycarbonylamino]methyl]-1-methylcyclohexyl]carbamoylamino]acetic acid Traditional Name: 2-[[4-[[[2-(butylamino)-1-methyl-ethoxy]carbonylamino]methyl]-1-methyl-cyclohexyl]carbamoylamino]acetic acid Formula: C19H36N4O5 MolecularWeight: 400.51294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(C)OC(=O)NCC1CCC(CC1)(C)NC(=O)NCC(=O)O

Isomeric SMILES

CCCCNCC(C)OC(=O)NCC1CCC(CC1)(C)NC(=O)NCC(=O)O

InChI

InChI=1S/C19H36N4O5/c1-4-5-10-20-11-14(2)28-18(27)22-12-15-6-8-19(3,9-7-15)23-17(26)21-13-16(24)25/h14-15,20H,4-13H2,1-3H3,(H,22,27)(H,24,25)(H2,21,23,26)