methyl (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]hexanoate

Systemtic Name: methyl (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]hexanoate Openeye Name: methyl (2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[[(2S)-3-phenyl-2-(2-thienylsulfonylamino)propanoyl]amino]hexanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-1-oxo-3-phenyl-2-(thiophen-2-ylsulfonylamino)propyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]hexanoate Traditional Name: (2S)-2-[isobutyl(tosyl)amino]-6-[[(2S)-3-phenyl-2-(2-thienylsulfonylamino)propanoyl]amino]hexanoic acid methyl ester Formula: C31H41N3O7S3 MolecularWeight: 663.86814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C31H41N3O7S3/c1-23(2)22-34(44(39,40)26-17-15-24(3)16-18-26)28(31(36)41-4)13-8-9-19-32-30(35)27(21-25-11-6-5-7-12-25)33-43(37,38)29-14-10-20-42-29/h5-7,10-12,14-18,20,23,27-28,33H,8-9,13,19,21-22H2,1-4H3,(H,32,35)/t27-,28-/m0/s1