(2S,3S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-methylpentanoic acid Traditional Name: (2S,3S)-3-methyl-2-(veratrylcarbamoylamino)valeric acid Formula: C16H24N2O5 MolecularWeight: 324.37216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)NCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O5/c1-5-10(2)14(15(19)20)18-16(21)17-9-11-6-7-12(22-3)13(8-11)23-4/h6-8,10,14H,5,9H2,1-4H3,(H,19,20)(H2,17,18,21)/t10-,14-/m0/s1