(3R,8R,11S,14S)-3-acetamido-2,10,13-tris(oxidanylidene)-11-(phenylmethyl)-5,6-dithia-1,9,12-triazabicyclo[12.3.0]heptadecane-8-carboxamide

Systemtic Name: (3R,8R,11S,14S)-3-acetamido-2,10,13-tris(oxidanylidene)-11-(phenylmethyl)-5,6-dithia-1,9,12-triazabicyclo[12.3.0]heptadecane-8-carboxamide Openeye Name: (3R,8R,11S,14S)-3-acetamido-11-benzyl-2,10,13-trioxo-5,6-dithia-1,9,12-triazabicyclo[12.3.0]heptadecane-8-carboxamide CAS Name: (3R,8R,11S,14S)-3-acetamido-2,10,13-trioxo-11-(phenylmethyl)-5,6-dithia-1,9,12-triazabicyclo[12.3.0]heptadecane-8-carboxamide IUPAC Name: (3R,8R,11S,14S)-3-acetamido-11-benzyl-2,10,13-trioxo-5,6-dithia-1,9,12-triazabicyclo[12.3.0]heptadecane-8-carboxamide Traditional Name: (3R,8R,11S,14S)-3-acetamido-11-benzyl-2,10,13-triketo-5,6-dithia-1,9,12-triazabicyclo[12.3.0]heptadecane-8-carboxamide Formula: C22H29N5O5S2 MolecularWeight: 507.62616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CSSCC(NC(=O)C(NC(=O)C2CCCN2C1=O)CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H29N5O5S2/c1-13(28)24-17-12-34-33-11-16(19(23)29)26-20(30)15(10-14-6-3-2-4-7-14)25-21(31)18-8-5-9-27(18)22(17)32/h2-4,6-7,15-18H,5,8-12H2,1H3,(H2,23,29)(H,24,28)(H,25,31)(H,26,30)/t15-,16-,17-,18-/m0/s1