(2S)-2-(4-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-2-[[(2R)-2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]propanamide

Systemtic Name: (2S)-2-(4-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-2-[[(2R)-2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]propanamide Openeye Name: (2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide CAS Name: (2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide IUPAC Name: (2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide Traditional Name: (2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)propionamide Formula: C27H30N4O6S2 MolecularWeight: 570.6803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C(C)(C3=CC=C(C=C3)OC)NCC(C4=CC(=C(C=C4)O)NS(=O)(=O)C)O

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)[C@](C)(C3=CC=C(C=C3)OC)NC[C@@H](C4=CC(=C(C=C4)O)NS(=O)(=O)C)O

InChI

InChI=1S/C27H30N4O6S2/c1-16-29-22-14-19(8-12-25(22)38-16)30-26(34)27(2,18-6-9-20(37-3)10-7-18)28-15-24(33)17-5-11-23(32)21(13-17)31-39(4,35)36/h5-14,24,28,31-33H,15H2,1-4H3,(H,30,34)/t24-,27-/m0/s1