(2S,3S)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[[3-(3-ethyl-1-methyl-3-azepanyl)phenoxy]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[3-(3-ethyl-1-methylazepan-3-yl)phenoxy]carbonylamino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-methyl-valeric acid Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)OC1=CC=CC(=C1)C2(CCCCN(C2)C)CC

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)OC1=CC=CC(=C1)C2(CCCCN(C2)C)CC

InChI

InChI=1S/C22H34N2O4/c1-5-16(3)19(20(25)26)23-21(27)28-18-11-9-10-17(14-18)22(6-2)12-7-8-13-24(4)15-22/h9-11,14,16,19H,5-8,12-13,15H2,1-4H3,(H,23,27)(H,25,26)/t16-,19-,22?/m0/s1