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

Systemtic Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-8-phenoxy-octanoic acid Openeye Name: (3R)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-8-phenoxy-octanoic acid CAS Name: (3R)-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-8-phenoxyoctanoic acid IUPAC Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-phenoxyoctanoic acid Traditional Name: (3R)-3-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-8-phenoxy-caprylic acid Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCCOC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCCOC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C25H32N2O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(28)29)13-7-4-10-16-32-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1