3-methyl-2-[[1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-2-phenylmethoxycarbonyl-pyrrolidin-1-ium-1-yl]amino]pentanoic acid

Systemtic Name: 3-methyl-2-[[1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-2-phenylmethoxycarbonyl-pyrrolidin-1-ium-1-yl]amino]pentanoic acid Openeye Name: 2-[[2-benzyloxycarbonyl-1-[2-(tert-butoxycarbonylamino)-4-methyl-pentyl]pyrrolidin-1-ium-1-yl]amino]-3-methyl-pentanoic acid CAS Name: 3-methyl-2-[[1-[4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]-2-phenylmethoxycarbonyl-1-pyrrolidin-1-iumyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-2-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl]amino]pentanoic acid Traditional Name: 2-[[1-[2-(tert-butoxycarbonylamino)-4-methyl-pentyl]-2-carbobenzoxy-pyrrolidin-1-ium-1-yl]amino]-3-methyl-valeric acid Formula: C29H48N3O6+ MolecularWeight: 534.70792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N[N+]1(CCCC1C(=O)OCC2=CC=CC=C2)CC(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C(C(=O)O)N[N+]1(CCCC1C(=O)OCC2=CC=CC=C2)CC(CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H47N3O6/c1-8-21(4)25(26(33)34)31-32(18-23(17-20(2)3)30-28(36)38-29(5,6)7)16-12-15-24(32)27(35)37-19-22-13-10-9-11-14-22/h9-11,13-14,20-21,23-25,31H,8,12,15-19H2,1-7H3,(H-,30,33,34,36)/p+1