Details
Stereochemistry | ACHIRAL |
Molecular Formula | C62H92N12O15P.CN.Co |
Molecular Weight | 1361.3896 |
Optical Activity | UNSPECIFIED |
Additional Stereochemistry | Yes |
Defined Stereocenters | 13 / 14 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | Octahedral trans |
SHOW SMILES / InChI
SMILES
[Co+3].[C-]#N.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[NH-]C1=C(C)C3=[NH]C(=CC4=[NH]C(=C(C)C5=[NH][C@]2(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(O)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)OP([O-])(=O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)N7C=[NH]C8=C7C=C(C)C(C)=C8
InChI
InChIKey=YUDUNSDYQKKFMD-UZIHIUCNSA-M
InChI=1S/C62H89N12O15P.CN.Co/c1-29-20-39-40(21-30(29)2)74(28-69-39)57-52(84)53(41(27-75)87-57)89-90(85,86)88-31(3)26-68-48(81)18-19-59(8)37(22-45(65)78)56-62(11)61(10,25-47(67)80)36(14-17-49(82)83)51(73-62)33(5)55-60(9,24-46(66)79)34(12-15-43(63)76)38(70-55)23-42-58(6,7)35(13-16-44(64)77)50(71-42)32(4)54(59)72-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,72,75,84H,12-19,22,24-27H2,1-11H3,(H2,63,76)(H2,64,77)(H2,65,78)(H2,66,79)(H2,67,80)(H,68,81)(H,82,83)(H,85,86);;/q2*-1;+3/p-1/b42-23-,54-32-,55-33-;;/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1
Approval Year
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01IU6310G3
Created by
admin on Sat Dec 16 11:21:38 GMT 2023 , Edited by admin on Sat Dec 16 11:21:38 GMT 2023
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38218-77-8
Created by
admin on Sat Dec 16 11:21:38 GMT 2023 , Edited by admin on Sat Dec 16 11:21:38 GMT 2023
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PRIMARY |
SUBSTANCE RECORD