(4R,7S,10S,13S,16R)-16-azanyl-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetrakis(oxidanylidene)-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide

Systemtic Name: (4R,7S,10S,13S,16R)-16-azanyl-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetrakis(oxidanylidene)-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide Openeye Name: (4R,7S,10S,13S,16R)-16-amino-13-(1H-imidazol-5-ylmethyl)-7-isopropyl-10-methyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide CAS Name: (4R,7S,10S,13S,16R)-16-amino-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide IUPAC Name: (4R,7S,10S,13S,16R)-16-amino-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide Traditional Name: (4R,7S,10S,13S,16R)-16-amino-13-(1H-imidazol-5-ylmethyl)-7-isopropyl-6,9,12,15-tetraketo-10-methyl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide Formula: C20H32N8O5S2 MolecularWeight: 528.64868

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CN=CN2)N)C(=O)N)C(C)C

Isomeric SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CN=CN2)N)C(=O)N)C(C)C

InChI

InChI=1S/C20H32N8O5S2/c1-9(2)15-20(33)27-14(16(22)29)7-35-34-6-12(21)18(31)26-13(4-11-5-23-8-24-11)19(32)25-10(3)17(30)28-15/h5,8-10,12-15H,4,6-7,21H2,1-3H3,(H2,22,29)(H,23,24)(H,25,32)(H,26,31)(H,27,33)(H,28,30)/t10-,12-,13-,14-,15-/m0/s1