3-azanyl-4-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-benzyloxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[2-benzoxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C22H23N3O5/c23-17(11-20(26)27)21(28)25-19(22(29)30-13-14-6-2-1-3-7-14)10-15-12-24-18-9-5-4-8-16(15)18/h1-9,12,17,19,24H,10-11,13,23H2,(H,25,28)(H,26,27)