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

Systemtic Name: methyl 4-methyl-3-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate Openeye Name: methyl 3-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[(2S,3S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate Traditional Name: 3-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5/c1-5-15(2)20(25-23(28)30-14-17-9-7-6-8-10-17)21(26)24-19-13-18(22(27)29-4)12-11-16(19)3/h6-13,15,20H,5,14H2,1-4H3,(H,24,26)(H,25,28)/t15-,20-/m0/s1