methyl 4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]benzoic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H26N2O5/c1-22(2,3)29-21(27)24-18(14-15-8-6-5-7-9-15)19(25)23-17-12-10-16(11-13-17)20(26)28-4/h5-13,18H,14H2,1-4H3,(H,23,25)(H,24,27)/t18-/m0/s1