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

Systemtic Name: 2-[[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyloxy]ethanoic acid Openeye Name: 2-[[(1S)-2-(2-hydroxyethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyloxy]acetic acid CAS Name: 2-[[[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-oxomethoxy]acetic acid IUPAC Name: 2-[[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyloxy]acetic acid Traditional Name: 2-[[(1S)-2-(2-hydroxyethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyloxy]acetic acid Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCCO)NC(=O)OCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCCO)NC(=O)OCC(=O)O

InChI

InChI=1S/C16H19N3O6/c20-6-5-17-15(23)13(19-16(24)25-9-14(21)22)7-10-8-18-12-4-2-1-3-11(10)12/h1-4,8,13,18,20H,5-7,9H2,(H,17,23)(H,19,24)(H,21,22)/t13-/m0/s1