(2S,3S)-3-[(2R)-4-(3-methoxyphenyl)-2-methyl-piperazin-1-yl]carbonyl-5-methyl-2-oxidanyl-hexanoic acid

Systemtic Name: (2S,3S)-3-[(2R)-4-(3-methoxyphenyl)-2-methyl-piperazin-1-yl]carbonyl-5-methyl-2-oxidanyl-hexanoic acid Openeye Name: (2S,3S)-2-hydroxy-3-[(2R)-4-(3-methoxyphenyl)-2-methyl-piperazine-1-carbonyl]-5-methyl-hexanoic acid CAS Name: (2S,3S)-2-hydroxy-3-[[(2R)-4-(3-methoxyphenyl)-2-methyl-1-piperazinyl]-oxomethyl]-5-methylhexanoic acid IUPAC Name: (2S,3S)-2-hydroxy-3-[(2R)-4-(3-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-5-methylhexanoic acid Traditional Name: (2S,3S)-2-hydroxy-3-[(2R)-4-(3-methoxyphenyl)-2-methyl-piperazine-1-carbonyl]-5-methyl-hexanoic acid Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(CC(C)C)C(C(=O)O)O)C2=CC(=CC=C2)OC

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)[C@@H](CC(C)C)[C@@H](C(=O)O)O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C20H30N2O5/c1-13(2)10-17(18(23)20(25)26)19(24)22-9-8-21(12-14(22)3)15-6-5-7-16(11-15)27-4/h5-7,11,13-14,17-18,23H,8-10,12H2,1-4H3,(H,25,26)/t14-,17+,18+/m1/s1