methyl (2R)-2-[[(3R)-5-(cyclododecylamino)-3-methyl-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[[(3R)-5-(cyclododecylamino)-3-methyl-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[(3R)-5-(cyclododecylamino)-3-methyl-5-oxo-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[(3R)-5-(cyclododecylamino)-3-methyl-1,5-dioxopentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(3R)-5-(cyclododecylamino)-3-methyl-5-oxopentanoyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[(3R)-5-(cyclododecylamino)-5-keto-3-methyl-pentanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C28H44N2O4 MolecularWeight: 472.65996

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1CCCCCCCCCCC1)CC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C[C@H](CC(=O)NC1CCCCCCCCCCC1)CC(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C28H44N2O4/c1-22(19-26(31)29-24-17-13-8-6-4-3-5-7-9-14-18-24)20-27(32)30-25(28(33)34-2)21-23-15-11-10-12-16-23/h10-12,15-16,22,24-25H,3-9,13-14,17-21H2,1-2H3,(H,29,31)(H,30,32)/t22-,25-/m1/s1