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

Systemtic Name: (2S)-1-[(2S)-2-azanylpropanoyl]-1-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]-2,3-dihydroindol-1-ium-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-aminopropanoyl]-1-[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]indolin-1-ium-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-amino-1-oxopropyl]-1-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-2,3-dihydroindol-1-ium-2-carboxylic acid IUPAC Name: (2S)-1-[(2S)-2-aminopropanoyl]-1-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-2,3-dihydroindol-1-ium-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-aminopropanoyl]-1-[(1S)-1-carbethoxy-3-phenyl-propyl]indolin-1-ium-2-carboxylic acid Formula: C24H29N2O5+ MolecularWeight: 425.49746

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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

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

InChI

InChI=1S/C24H28N2O5/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/p+1/t16-,20-,21-,26?/m0/s1