2-(6-aminopurin-9-yl)-5-methanidyl-oxolane-3,4-diol; cobalt(2+); 3-[2,7,18-tris(2-azanyl-2-oxidanylidene-ethyl)-3,13-bis(3-azanyl-3-oxidanylidene-propyl)-1,2,5,7,12,12,15,17-octamethyl-17-[3-oxidanylidene-3-(2-oxidanylpropylamino)propyl]-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide

Systemtic Name: 2-(6-aminopurin-9-yl)-5-methanidyl-oxolane-3,4-diol; cobalt(2+); 3-[2,7,18-tris(2-azanyl-2-oxidanylidene-ethyl)-3,13-bis(3-azanyl-3-oxidanylidene-propyl)-1,2,5,7,12,12,15,17-octamethyl-17-[3-oxidanylidene-3-(2-oxidanylpropylamino)propyl]-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide Openeye Name: cobaltous; 2-(6-aminopurin-9-yl)-5-methanidyl-tetrahydrofuran-3,4-diol; 3-[2,7,18-tris(2-amino-2-oxo-ethyl)-3,13-bis(3-amino-3-oxo-propyl)-17-[3-(2-hydroxypropylamino)-3-oxo-propyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide CAS Name: 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol; cobalt(2+); 3-[2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide IUPAC Name: 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol; cobalt(2+); 3-[2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide Traditional Name: cobaltous; 2-adenin-9-yl-5-methanidyl-tetrahydrofuran-3,4-diol; 3-[2,7,18-tris(2-amino-2-keto-ethyl)-3,13-bis(3-amino-3-keto-propyl)-17-[3-(2-hydroxypropylamino)-3-keto-propyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propionamide Formula: C58H84CoN16O11 MolecularWeight: 1240.32136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)O.[CH2-]C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[Co+2]

Isomeric SMILES

CC1=C2C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)O.[CH2-]C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[Co+2]

InChI

InChI=1S/C48H73N11O8.C10H12N5O3.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+2/p-1