methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-5-(3-phenylpropanoylamino)pentanoate

Systemtic Name: methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-5-(3-phenylpropanoylamino)pentanoate Openeye Name: methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-5-(3-phenylpropanoylamino)pentanoate CAS Name: (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-5-[(1-oxo-3-phenylpropyl)amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-5-(3-phenylpropanoylamino)pentanoate Traditional Name: (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-5-(hydrocinnamoylamino)valeric acid methyl ester Formula: C27H29BrN2O5S MolecularWeight: 573.49856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCNC(=O)CCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)[C@H](CCCNC(=O)CCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C27H29BrN2O5S/c1-35-27(32)25(8-5-19-29-26(31)18-9-20-6-3-2-4-7-20)30-36(33,34)24-16-12-22(13-17-24)21-10-14-23(28)15-11-21/h2-4,6-7,10-17,25,30H,5,8-9,18-19H2,1H3,(H,29,31)/t25-/m0/s1