cobalt(2+); 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-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-[[(2R)-2-oxidanylpropyl]amino]propyl]-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide; cyanide; hydrate

Systemtic Name: cobalt(2+); 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-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-[[(2R)-2-oxidanylpropyl]amino]propyl]-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide; cyanide; hydrate Openeye Name: cobaltous 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-2,7,18-tris(2-amino-2-oxo-ethyl)-3,13-bis(3-amino-3-oxo-propyl)-17-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxo-propyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide cyanide hydrate CAS Name: cobalt(2+); 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide; cyanide; hydrate IUPAC Name: cobalt(2+); 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide; cyanide; hydrate Traditional Name: cobaltous 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-2,7,18-tris(2-amino-2-keto-ethyl)-3,13-bis(3-amino-3-keto-propyl)-17-[3-[[(2R)-2-hydroxypropyl]amino]-3-keto-propyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propionamide cyanide hydrate Formula: C49H74CoN12O9 MolecularWeight: 1034.12006

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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.[C-]#N.O.[Co+2]

Isomeric SMILES

C/C/1=C/2\[C@@]([C@@H](C(=N2)/C=C\3/C([C@@H](C(=N3)/C(=C\4/[C@]([C@H](C([N-]4)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N.[C-]#N.O.[Co+2]

InChI

InChI=1S/C48H73N11O8.CN.Co.H2O/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;1-2;;/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);;;1H2/q;-1;+2;/p-1/t23-,26-,27-,28-,29+,43?,45-,46+,47+,48+;;;/m1.../s1