2-[[(2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-methyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-methyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-methyl-butanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-[[[3-(3-ethyl-1-methyl-3-azepanyl)phenoxy]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-[[3-(3-ethyl-1-methylazepan-3-yl)phenoxy]carbonylamino]-3-methylbutanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-methyl-butanoyl]amino]acetic acid Formula: C23H35N3O5 MolecularWeight: 433.5411

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)NC(C(C)C)C(=O)NCC(=O)O

Isomeric SMILES

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)N[C@H](C(C)C)C(=O)NCC(=O)O

InChI

InChI=1S/C23H35N3O5/c1-5-23(11-6-7-12-26(4)15-23)17-9-8-10-18(13-17)31-22(30)25-20(16(2)3)21(29)24-14-19(27)28/h8-10,13,16,20H,5-7,11-12,14-15H2,1-4H3,(H,24,29)(H,25,30)(H,27,28)/t20-,23?/m1/s1