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

Systemtic Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-8-phenylmethoxy-octanoic acid Openeye Name: (3R)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-8-benzyloxy-octanoic acid CAS Name: (3R)-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-8-phenylmethoxyoctanoic acid IUPAC Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-phenylmethoxyoctanoic acid Traditional Name: (3R)-8-benzoxy-3-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]caprylic acid Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCCOCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCCOCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C26H34N2O5/c1-27-26(32)23(17-20-11-5-2-6-12-20)28-25(31)22(18-24(29)30)15-9-4-10-16-33-19-21-13-7-3-8-14-21/h2-3,5-8,11-14,22-23H,4,9-10,15-19H2,1H3,(H,27,32)(H,28,31)(H,29,30)/t22-,23+/m1/s1