methyl 4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]benzoate CAS Name: 4-[[(2S,3S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate Traditional Name: 4-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]benzoic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-4-15(2)19(24-22(27)29-14-16-8-6-5-7-9-16)20(25)23-18-12-10-17(11-13-18)21(26)28-3/h5-13,15,19H,4,14H2,1-3H3,(H,23,25)(H,24,27)/t15-,19-/m0/s1