methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-[5-(phenylsulfonyl)-1H-indol-3-yl]propanoate

Systemtic Name: methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-[5-(phenylsulfonyl)-1H-indol-3-yl]propanoate Openeye Name: methyl (2S,3S)-3-[5-(benzenesulfonyl)-1H-indol-3-yl]-2-(methoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S,3S)-3-[5-(benzenesulfonyl)-1H-indol-3-yl]-2-(methoxycarbonylamino)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-[5-(benzenesulfonyl)-1H-indol-3-yl]-2-(methoxycarbonylamino)-3-phenylpropanoate Traditional Name: (2S,3S)-3-(5-besyl-1H-indol-3-yl)-2-(carbomethoxyamino)-3-phenyl-propionic acid methyl ester Formula: C26H24N2O6S MolecularWeight: 492.54356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CC=C1)C2=CNC3=C2C=C(C=C3)S(=O)(=O)C4=CC=CC=C4)NC(=O)OC

Isomeric SMILES

COC(=O)[C@H]([C@@H](C1=CC=CC=C1)C2=CNC3=C2C=C(C=C3)S(=O)(=O)C4=CC=CC=C4)NC(=O)OC

InChI

InChI=1S/C26H24N2O6S/c1-33-25(29)24(28-26(30)34-2)23(17-9-5-3-6-10-17)21-16-27-22-14-13-19(15-20(21)22)35(31,32)18-11-7-4-8-12-18/h3-16,23-24,27H,1-2H3,(H,28,30)/t23-,24-/m0/s1