(2S)-3-cyclohexyl-N-[(3R)-2-oxidanylidene-4-(phenylsulfonyl)azetidin-3-yl]-2-(3-phenylpropanoylamino)propanamide

Systemtic Name: (2S)-3-cyclohexyl-N-[(3R)-2-oxidanylidene-4-(phenylsulfonyl)azetidin-3-yl]-2-(3-phenylpropanoylamino)propanamide Openeye Name: (2S)-N-[(3R)-2-(benzenesulfonyl)-4-oxo-azetidin-3-yl]-3-cyclohexyl-2-(3-phenylpropanoylamino)propanamide CAS Name: (2S)-N-[(3R)-2-(benzenesulfonyl)-4-oxo-3-azetidinyl]-3-cyclohexyl-2-[(1-oxo-3-phenylpropyl)amino]propanamide IUPAC Name: (2S)-N-[(3R)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-3-cyclohexyl-2-(3-phenylpropanoylamino)propanamide Traditional Name: (2S)-N-[(3R)-2-besyl-4-keto-azetidin-3-yl]-3-cyclohexyl-2-(hydrocinnamoylamino)propionamide Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2C(NC2=O)S(=O)(=O)C3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N[C@H]2C(NC2=O)S(=O)(=O)C3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O5S/c31-23(17-16-19-10-4-1-5-11-19)28-22(18-20-12-6-2-7-13-20)25(32)29-24-26(33)30-27(24)36(34,35)21-14-8-3-9-15-21/h1,3-5,8-11,14-15,20,22,24,27H,2,6-7,12-13,16-18H2,(H,28,31)(H,29,32)(H,30,33)/t22-,24+,27?/m0/s1