6-[(3-azanyl-3-oxidanylidene-propyl)-tridecyl-amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-azanyl-3-oxidanylidene-propyl)-tridecyl-amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[(3-amino-3-oxo-propyl)-tridecyl-amino]-5-(tert-butoxycarbonylamino)-6-oxo-hexanoic acid CAS Name: 6-[(3-amino-3-oxopropyl)-tridecylamino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-[(3-amino-3-oxopropyl)-tridecylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid Traditional Name: 6-[(3-amino-3-keto-propyl)-tridecyl-amino]-5-(tert-butoxycarbonylamino)-6-keto-hexanoic acid Formula: C27H51N3O6 MolecularWeight: 513.71034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCN(CCC(=O)N)C(=O)C(CCCC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCN(CCC(=O)N)C(=O)C(CCCC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H51N3O6/c1-5-6-7-8-9-10-11-12-13-14-15-20-30(21-19-23(28)31)25(34)22(17-16-18-24(32)33)29-26(35)36-27(2,3)4/h22H,5-21H2,1-4H3,(H2,28,31)(H,29,35)(H,32,33)