diethyl 2-azanyl-6-[[(4R)-5-methoxy-4-(octadecanoylamino)-5-oxidanylidene-pentanoyl]amino]-4-methylidene-heptanedioate

Systemtic Name: diethyl 2-azanyl-6-[[(4R)-5-methoxy-4-(octadecanoylamino)-5-oxidanylidene-pentanoyl]amino]-4-methylidene-heptanedioate Openeye Name: diethyl 2-amino-6-[[(4R)-5-methoxy-4-(octadecanoylamino)-5-oxo-pentanoyl]amino]-4-methylene-heptanedioate CAS Name: 2-amino-6-[[(4R)-5-methoxy-1,5-dioxo-4-(1-oxooctadecylamino)pentyl]amino]-4-methyleneheptanedioic acid diethyl ester IUPAC Name: diethyl 2-amino-6-[[(4R)-5-methoxy-4-(octadecanoylamino)-5-oxopentanoyl]amino]-4-methylideneheptanedioate Traditional Name: 2-amino-6-[[(4R)-5-keto-5-methoxy-4-stearamido-pentanoyl]amino]-4-methylene-pimelic acid diethyl ester Formula: C36H65N3O8 MolecularWeight: 667.9166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NC(CC(=C)CC(C(=O)OCC)N)C(=O)OCC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CC(=C)CC(C(=O)OCC)N)C(=O)OCC)C(=O)OC

InChI

InChI=1S/C36H65N3O8/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32(40)38-30(35(43)45-5)24-25-33(41)39-31(36(44)47-8-3)27-28(4)26-29(37)34(42)46-7-2/h29-31H,4,6-27,37H2,1-3,5H3,(H,38,40)(H,39,41)/t29?,30-,31?/m1/s1