3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-[(1-tridecanoylpiperidin-2-yl)methylamino]butanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-[(1-tridecanoylpiperidin-2-yl)methylamino]butanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-4-oxo-4-[(1-tridecanoyl-2-piperidyl)methylamino]butanoic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-[[1-(1-oxotridecyl)-2-piperidinyl]methylamino]butanoic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-[(1-tridecanoylpiperidin-2-yl)methylamino]butanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-4-keto-4-[(1-tridecanoyl-2-piperidyl)methylamino]butyric acid Formula: C28H51N3O6 MolecularWeight: 525.72104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H51N3O6/c1-5-6-7-8-9-10-11-12-13-14-18-24(32)31-19-16-15-17-22(31)21-29-26(35)23(20-25(33)34)30-27(36)37-28(2,3)4/h22-23H,5-21H2,1-4H3,(H,29,35)(H,30,36)(H,33,34)