2-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]-4-methyl-pentanoic acid

Systemtic Name: 2-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]-4-methyl-pentanoic acid Openeye Name: 2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-methyl-pentanoic acid CAS Name: 2-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-oxomethyl]-4-methylpentanoic acid IUPAC Name: 2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-4-methylpentanoic acid Traditional Name: 2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-4-methyl-valeric acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-10(2)7-13(17(22)23)16(21)20-15(18(24)25)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)/t13?,15-/m0/s1