(2S)-2-[(4,7-dimethoxy-1H-indol-2-yl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(4,7-dimethoxy-1H-indol-2-yl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(4,7-dimethoxy-1H-indol-2-yl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(NC2=C(C=C1)OC)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

COC1=C2C=C(NC2=C(C=C1)OC)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H21N3O5/c1-29-18-7-8-19(30-2)20-14(18)10-16(24-20)21(26)25-17(22(27)28)9-12-11-23-15-6-4-3-5-13(12)15/h3-8,10-11,17,23-24H,9H2,1-2H3,(H,25,26)(H,27,28)/t17-/m0/s1