(2S)-N-[1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-butan-2-yl]-3-cyclohexyl-2-[[methylsulfonylamino-(propan-2-ylamino)methylidene]amino]propanamide

Systemtic Name: (2S)-N-[1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-butan-2-yl]-3-cyclohexyl-2-[[methylsulfonylamino-(propan-2-ylamino)methylidene]amino]propanamide Openeye Name: (2S)-N-[1-(1,3-benzoxazole-2-carbonyl)propyl]-3-cyclohexyl-2-[[(isopropylamino)-(methanesulfonamido)methylene]amino]propanamide CAS Name: (2S)-N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-3-cyclohexyl-2-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanamide IUPAC Name: (2S)-N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-3-cyclohexyl-2-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanamide Traditional Name: (2S)-N-[1-(1,3-benzoxazole-2-carbonyl)propyl]-3-cyclohexyl-2-[[(isopropylamino)-(methanesulfonamido)methylene]amino]propionamide Formula: C25H37N5O5S MolecularWeight: 519.65678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C(CC3CCCCC3)N=C(NC(C)C)NS(=O)(=O)C

Isomeric SMILES

CCC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)[C@H](CC3CCCCC3)N=C(NC(C)C)NS(=O)(=O)C

InChI

InChI=1S/C25H37N5O5S/c1-5-18(22(31)24-28-19-13-9-10-14-21(19)35-24)27-23(32)20(15-17-11-7-6-8-12-17)29-25(26-16(2)3)30-36(4,33)34/h9-10,13-14,16-18,20H,5-8,11-12,15H2,1-4H3,(H,27,32)(H2,26,29,30)/t18?,20-/m0/s1