(2S)-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S)-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-3-methyl-pentanoic acid Openeye Name: (2S)-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-3-methyl-pentanoic acid CAS Name: (2S)-2-[[[2-(4-methoxyphenyl)ethylamino]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S)-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-3-methylpentanoic acid Traditional Name: (2S)-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-3-methyl-valeric acid Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)NCCC1=CC=C(C=C1)OC

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)NC(=O)NCCC1=CC=C(C=C1)OC

InChI

InChI=1S/C16H24N2O4/c1-4-11(2)14(15(19)20)18-16(21)17-10-9-12-5-7-13(22-3)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)/t11?,14-/m0/s1