methyl 4-[[2-[(2S)-2-(phenylcarbamoylamino)propanoyl]oxyethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(2S)-2-(phenylcarbamoylamino)propanoyl]oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(2S)-2-(phenylcarbamoylamino)propanoyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(2S)-2-[[anilino(oxo)methyl]amino]-1-oxopropoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(2S)-2-(phenylcarbamoylamino)propanoyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(2S)-2-(phenylcarbamoylamino)propanoyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC=C(C=C1)C(=O)OC)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC1=CC=C(C=C1)C(=O)OC)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6/c1-14(23-21(28)24-17-6-4-3-5-7-17)19(26)30-13-18(25)22-12-15-8-10-16(11-9-15)20(27)29-2/h3-11,14H,12-13H2,1-2H3,(H,22,25)(H2,23,24,28)/t14-/m0/s1