(3R)-3-[[(2S)-1-acetamido-3-(4-methoxyphenyl)propan-2-yl]carbamoyl]-5-methyl-hexanoic acid

Systemtic Name: (3R)-3-[[(2S)-1-acetamido-3-(4-methoxyphenyl)propan-2-yl]carbamoyl]-5-methyl-hexanoic acid Openeye Name: (3R)-3-[[(1S)-1-(acetamidomethyl)-2-(4-methoxyphenyl)ethyl]carbamoyl]-5-methyl-hexanoic acid CAS Name: (3R)-3-[[[(2S)-1-acetamido-3-(4-methoxyphenyl)propan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid IUPAC Name: (3R)-3-[[(2S)-1-acetamido-3-(4-methoxyphenyl)propan-2-yl]carbamoyl]-5-methylhexanoic acid Traditional Name: (3R)-3-[[(1S)-1-(acetamidomethyl)-2-(4-methoxyphenyl)ethyl]carbamoyl]-5-methyl-hexanoic acid Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)OC)CNC(=O)C

Isomeric SMILES

CC(C)C[C@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)OC)CNC(=O)C

InChI

InChI=1S/C20H30N2O5/c1-13(2)9-16(11-19(24)25)20(26)22-17(12-21-14(3)23)10-15-5-7-18(27-4)8-6-15/h5-8,13,16-17H,9-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t16-,17+/m1/s1