sodium (2S)-1-[(2S)-2-azanylpropanoyl]-1-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]-2,3-dihydroindol-1-ium-2-carboxylate

Systemtic Name: sodium (2S)-1-[(2S)-2-azanylpropanoyl]-1-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]-2,3-dihydroindol-1-ium-2-carboxylate Openeye Name: sodium (2S)-1-[(2S)-2-aminopropanoyl]-1-[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]indolin-1-ium-2-carboxylate CAS Name: sodium (2S)-1-[(2S)-2-amino-1-oxopropyl]-1-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-2,3-dihydroindol-1-ium-2-carboxylate IUPAC Name: sodium (2S)-1-[(2S)-2-aminopropanoyl]-1-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-2,3-dihydroindol-1-ium-2-carboxylate Traditional Name: sodium (2S)-1-[(2S)-2-aminopropanoyl]-1-[(1S)-1-carbethoxy-3-phenyl-propyl]indolin-1-ium-2-carboxylate Formula: C24H28N2NaO5+ MolecularWeight: 447.47929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)[N+]2(C(CC3=CC=CC=C32)C(=O)[O-])C(=O)C(C)N.[Na+]

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)[N+]2([C@@H](CC3=CC=CC=C32)C(=O)[O-])C(=O)[C@H](C)N.[Na+]

InChI

InChI=1S/C24H28N2O5.Na/c1-3-31-24(30)20(14-13-17-9-5-4-6-10-17)26(22(27)16(2)25)19-12-8-7-11-18(19)15-21(26)23(28)29;/h4-12,16,20-21H,3,13-15,25H2,1-2H3;/q;+1/t16-,20-,21-,26?;/m0./s1