3-[[(2S)-1-(carboxymethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-hexanoic acid

Systemtic Name: 3-[[(2S)-1-(carboxymethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-hexanoic acid Openeye Name: 3-[[(1S)-2-(carboxymethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-5-methyl-hexanoic acid CAS Name: 3-[[[(2S)-1-(carboxymethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid IUPAC Name: 3-[[(2S)-1-(carboxymethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-5-methylhexanoic acid Traditional Name: 3-[[(1S)-2-(carboxymethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-5-methyl-hexanoic acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)CC(CC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)O

InChI

InChI=1S/C21H27N3O6/c1-12(2)7-13(9-18(25)26)20(29)24-17(21(30)23-11-19(27)28)8-14-10-22-16-6-4-3-5-15(14)16/h3-6,10,12-13,17,22H,7-9,11H2,1-2H3,(H,23,30)(H,24,29)(H,25,26)(H,27,28)/t13?,17-/m0/s1