tert-butyl (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-8-phenylmethoxy-octanoate

Systemtic Name: tert-butyl (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-8-phenylmethoxy-octanoate Openeye Name: tert-butyl (3R)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-8-benzyloxy-octanoate CAS Name: (3R)-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-8-phenylmethoxyoctanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-phenylmethoxyoctanoate Traditional Name: (3R)-8-benzoxy-3-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]caprylic acid tert-butyl ester Formula: C30H42N2O5 MolecularWeight: 510.66488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCCCOCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](CCCCCOCC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC

InChI

InChI=1S/C30H42N2O5/c1-30(2,3)37-27(33)21-25(18-12-7-13-19-36-22-24-16-10-6-11-17-24)28(34)32-26(29(35)31-4)20-23-14-8-5-9-15-23/h5-6,8-11,14-17,25-26H,7,12-13,18-22H2,1-4H3,(H,31,35)(H,32,34)/t25-,26+/m1/s1