ethyl (5S)-5-(2-bromophenyl)-3-[[(S)-tert-butylsulfinyl]amino]-5-[(4-methylphenyl)sulfonylamino]-3-phenyl-pentanoate

Systemtic Name: ethyl (5S)-5-(2-bromophenyl)-3-[[(S)-tert-butylsulfinyl]amino]-5-[(4-methylphenyl)sulfonylamino]-3-phenyl-pentanoate Openeye Name: ethyl (5S)-5-(2-bromophenyl)-3-[[(S)-tert-butylsulfinyl]amino]-3-phenyl-5-(p-tolylsulfonylamino)pentanoate CAS Name: (5S)-5-(2-bromophenyl)-3-[[(S)-tert-butylsulfinyl]amino]-5-[(4-methylphenyl)sulfonylamino]-3-phenylpentanoic acid ethyl ester IUPAC Name: ethyl (5S)-5-(2-bromophenyl)-3-[[(S)-tert-butylsulfinyl]amino]-5-[(4-methylphenyl)sulfonylamino]-3-phenylpentanoate Traditional Name: (5S)-5-(2-bromophenyl)-3-[[(S)-tert-butylsulfinyl]amino]-3-phenyl-5-(tosylamino)valeric acid ethyl ester Formula: C30H37BrN2O5S2 MolecularWeight: 649.65918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(C1=CC=CC=C1Br)NS(=O)(=O)C2=CC=C(C=C2)C)(C3=CC=CC=C3)NS(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)CC(C[C@@H](C1=CC=CC=C1Br)NS(=O)(=O)C2=CC=C(C=C2)C)(C3=CC=CC=C3)N[S@@](=O)C(C)(C)C

InChI

InChI=1S/C30H37BrN2O5S2/c1-6-38-28(34)21-30(23-12-8-7-9-13-23,33-39(35)29(3,4)5)20-27(25-14-10-11-15-26(25)31)32-40(36,37)24-18-16-22(2)17-19-24/h7-19,27,32-33H,6,20-21H2,1-5H3/t27-,30?,39-/m0/s1