5-(hexatriacontan-18-ylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(hexatriacontan-18-ylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-(tert-butoxycarbonylamino)-5-(1-heptadecylnonadecylamino)-5-oxo-pentanoic acid CAS Name: 5-(hexatriacontan-18-ylamino)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(hexatriacontan-18-ylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Traditional Name: 4-(tert-butoxycarbonylamino)-5-(1-heptadecylnonadecylamino)-5-keto-valeric acid Formula: C46H90N2O5 MolecularWeight: 751.2172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)NC(=O)C(CCC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)NC(=O)C(CCC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C46H90N2O5/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-41(37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)47-44(51)42(39-40-43(49)50)48-45(52)53-46(3,4)5/h41-42H,6-40H2,1-5H3,(H,47,51)(H,48,52)(H,49,50)