methyl 3-[2-[(2S)-2-(aminocarbonylamino)-3-phenyl-propanoyl]oxyethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(2S)-2-(aminocarbonylamino)-3-phenyl-propanoyl]oxyethanoylamino]-4-methyl-benzoate Openeye Name: methyl 4-methyl-3-[[2-[(2S)-3-phenyl-2-ureido-propanoyl]oxyacetyl]amino]benzoate CAS Name: 3-[[2-[(2S)-2-(carbamoylamino)-1-oxo-3-phenylpropoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2S)-2-(carbamoylamino)-3-phenylpropanoyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 4-methyl-3-[[2-[(2S)-3-phenyl-2-ureido-propanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C21H23N3O6/c1-13-8-9-15(19(26)29-2)11-16(13)23-18(25)12-30-20(27)17(24-21(22)28)10-14-6-4-3-5-7-14/h3-9,11,17H,10,12H2,1-2H3,(H,23,25)(H3,22,24,28)/t17-/m0/s1