[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methyl-pentanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (2R)-4-methyl-2-ureido-pentanoate CAS Name: (2R)-2-(carbamoylamino)-4-methylpentanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylpentanoate Traditional Name: (2R)-4-methyl-2-ureido-valeric acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C18H27N3O6 MolecularWeight: 381.42348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NCC1=CC(=C(C=C1)OC)OC)NC(=O)N

Isomeric SMILES

CC(C)C[C@H](C(=O)OCC(=O)NCC1=CC(=C(C=C1)OC)OC)NC(=O)N

InChI

InChI=1S/C18H27N3O6/c1-11(2)7-13(21-18(19)24)17(23)27-10-16(22)20-9-12-5-6-14(25-3)15(8-12)26-4/h5-6,8,11,13H,7,9-10H2,1-4H3,(H,20,22)(H3,19,21,24)/t13-/m1/s1