tert-butyl (2S)-2-[[(2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-2-phenyl-ethanoyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-2-phenyl-ethanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-2-phenyl-acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-1-oxo-2-phenylethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-2-phenylacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-2-phenyl-acetyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C28H29N3O5S2 MolecularWeight: 551.67696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C2=CC=CC=C2)NS(=O)(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C28H29N3O5S2/c1-28(2,3)36-26(33)22(18-19-12-6-4-7-13-19)29-25(32)24(20-14-8-5-9-15-20)31-38(34,35)27-30-21-16-10-11-17-23(21)37-27/h4-17,22,24,31H,18H2,1-3H3,(H,29,32)/t22-,24-/m0/s1