2-[[(2S)-3-(1H-indol-3-yl)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]carbamoyloxy]ethanoic acid

Systemtic Name: 2-[[(2S)-3-(1H-indol-3-yl)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]carbamoyloxy]ethanoic acid Openeye Name: 2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-(isobutylamino)-2-oxo-ethyl]carbamoyloxy]acetic acid CAS Name: 2-[[[(2S)-3-(1H-indol-3-yl)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-oxomethoxy]acetic acid IUPAC Name: 2-[[(2S)-3-(1H-indol-3-yl)-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyloxy]acetic acid Traditional Name: 2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-(isobutylamino)-2-keto-ethyl]carbamoyloxy]acetic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC(=O)O

InChI

InChI=1S/C18H23N3O5/c1-11(2)8-20-17(24)15(21-18(25)26-10-16(22)23)7-12-9-19-14-6-4-3-5-13(12)14/h3-6,9,11,15,19H,7-8,10H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1