methyl 4-[[(2R)-2-[(4-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2R)-2-[(4-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: methyl 4-[[(2R)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 4-[[(2R)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[(2R)-4-(methylthio)-2-(p-anisoylamino)butanoyl]amino]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O5S/c1-27-17-10-6-14(7-11-17)19(24)23-18(12-13-29-3)20(25)22-16-8-4-15(5-9-16)21(26)28-2/h4-11,18H,12-13H2,1-3H3,(H,22,25)(H,23,24)/t18-/m1/s1