9-[3-[[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]carbamoyl]phenyl]non-8-ynoic acid

Systemtic Name: 9-[3-[[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]carbamoyl]phenyl]non-8-ynoic acid Openeye Name: 9-[3-[[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]non-8-ynoic acid CAS Name: 9-[3-[[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-oxomethyl]phenyl]-8-nonynoic acid IUPAC Name: 9-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]phenyl]non-8-ynoic acid Traditional Name: 9-[3-[[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]carbamoyl]phenyl]non-8-ynoic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(CO)NC(=O)C3=CC=CC(=C3)C#CCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](CO)NC(=O)C3=CC=CC(=C3)C#CCCCCCCC(=O)O

InChI

InChI=1S/C27H30N2O4/c30-19-23(17-22-18-28-25-14-8-7-13-24(22)25)29-27(33)21-12-9-11-20(16-21)10-5-3-1-2-4-6-15-26(31)32/h7-9,11-14,16,18,23,28,30H,1-4,6,15,17,19H2,(H,29,33)(H,31,32)/t23-/m1/s1