1-[[(2S)-1-(carboxymethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[(2S)-1-(carboxymethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[(1S)-2-(carboxymethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[(2S)-1-(carboxymethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[(2S)-1-(carboxymethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[(1S)-2-(carboxymethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]cyclohexanecarboxylic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)O

Isomeric SMILES

C1CCC(CC1)(C(=O)O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)O

InChI

InChI=1S/C20H25N3O5/c24-17(25)12-22-18(26)16(23-20(19(27)28)8-4-1-5-9-20)10-13-11-21-15-7-3-2-6-14(13)15/h2-3,6-7,11,16,21,23H,1,4-5,8-10,12H2,(H,22,26)(H,24,25)(H,27,28)/t16-/m0/s1