[(2S)-1-[(3S)-3-carboxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxidanylidene-propan-2-yl]-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3S)-3-carboxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxidanylidene-propan-2-yl]-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]azanium Openeye Name: [(1S)-2-[(3S)-3-carboxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-methyl-2-oxo-ethyl]-[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]ammonium CAS Name: [(2S)-1-[(3S)-3-carboxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl]-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(3S)-3-carboxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl]-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanium Traditional Name: [(1S)-1-carbethoxy-3-phenyl-propyl]-[(1S)-2-[(3S)-3-carboxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-1-methyl-ethyl]ammonium Formula: C25H31N2O5+ MolecularWeight: 439.52404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)[NH2+]C(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)[NH2+][C@@H](C)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O

InChI

InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/p+1/t17-,21-,22-/m0/s1