1-(3-hexyl-4-oxidanylidene-oxetan-2-yl)tridecan-2-yl 4-methyl-2-[(phenylmethyl)carbamoylamino]pentanoate

Systemtic Name: 1-(3-hexyl-4-oxidanylidene-oxetan-2-yl)tridecan-2-yl 4-methyl-2-[(phenylmethyl)carbamoylamino]pentanoate Openeye Name: 1-[(3-hexyl-4-oxo-oxetan-2-yl)methyl]dodecyl 2-(benzylcarbamoylamino)-4-methyl-pentanoate CAS Name: 4-methyl-2-[[oxo-[(phenylmethyl)amino]methyl]amino]pentanoic acid 1-(3-hexyl-4-oxo-2-oxetanyl)tridecan-2-yl ester IUPAC Name: 1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-(benzylcarbamoylamino)-4-methylpentanoate Traditional Name: 2-(benzylcarbamoylamino)-4-methyl-valeric acid 1-[(3-hexyl-4-keto-oxetan-2-yl)methyl]dodecyl ester Formula: C36H60N2O5 MolecularWeight: 600.872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C36H60N2O5/c1-5-7-9-11-12-13-14-15-19-23-30(26-33-31(34(39)43-33)24-20-10-8-6-2)42-35(40)32(25-28(3)4)38-36(41)37-27-29-21-17-16-18-22-29/h16-18,21-22,28,30-33H,5-15,19-20,23-27H2,1-4H3,(H2,37,38,41)