[(2S)-1-[2-[2-(3-methoxy-4-oxidanyl-phenyl)ethanoyl-oxidanyl-amino]ethoxy]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-[2-(3-methoxy-4-oxidanyl-phenyl)ethanoyl-oxidanyl-amino]ethoxy]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[2-[hydroxy-[2-(4-hydroxy-3-methoxy-phenyl)acetyl]amino]ethoxycarbonyl]-2-methyl-butyl]ammonium CAS Name: [(2S)-1-[2-[hydroxy-[2-(4-hydroxy-3-methoxyphenyl)-1-oxoethyl]amino]ethoxy]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-[hydroxy-[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]ethoxy]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[2-[homovanilloyl(hydroxy)amino]ethoxycarbonyl]-2-methyl-butyl]ammonium Formula: C17H27N2O6+ MolecularWeight: 355.40608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCCN(C(=O)CC1=CC(=C(C=C1)O)OC)O)[NH3+]

Isomeric SMILES

CCC(C)[C@@H](C(=O)OCCN(C(=O)CC1=CC(=C(C=C1)O)OC)O)[NH3+]

InChI

InChI=1S/C17H26N2O6/c1-4-11(2)16(18)17(22)25-8-7-19(23)15(21)10-12-5-6-13(20)14(9-12)24-3/h5-6,9,11,16,20,23H,4,7-8,10,18H2,1-3H3/p+1/t11?,16-/m0/s1