(2S)-2-[[3-methyl-3-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[3-methyl-3-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[3-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[3-methyl-1-oxo-3-(phenylmethoxycarbonylamino)butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[3-methyl-3-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[3-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-phenyl-propionic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-22(2,24-21(28)29-15-17-11-7-4-8-12-17)14-19(25)23-18(20(26)27)13-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3,(H,23,25)(H,24,28)(H,26,27)/t18-/m0/s1