(3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-8-oxidanyl-octanoic acid

Systemtic Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-8-oxidanyl-octanoic acid Openeye Name: (3R)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-8-hydroxy-octanoic acid CAS Name: (3R)-8-hydroxy-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]octanoic acid IUPAC Name: (3R)-8-hydroxy-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]octanoic acid Traditional Name: (3R)-3-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-8-hydroxy-caprylic acid Formula: C19H28N2O5 MolecularWeight: 364.43602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCCO)CC(=O)O

Isomeric SMILES

CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCCO)CC(=O)O

InChI

InChI=1S/C19H28N2O5/c1-20-19(26)16(12-14-8-4-2-5-9-14)21-18(25)15(13-17(23)24)10-6-3-7-11-22/h2,4-5,8-9,15-16,22H,3,6-7,10-13H2,1H3,(H,20,26)(H,21,25)(H,23,24)/t15-,16+/m1/s1