| Properties | Image |
|---|
| MNX_ID | MNXM153234 |
 |
| reference | chebi:3494 |
| formula | C25H26N9NaO8S2 |
| global charge | 0 |
| mol weight | 667.662 |
| InChIKey | NCFTXMQPRQZFMZ-WERGMSTESA-M |
| InChI | InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1 |
| SMILES | CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSC4=NN=NN4C)CS[C@H]23)C2=CC=C(O)C=C2)C(=O)C1=O.[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/t15-,16-,22-;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][N:32]1[CH2:8][CH2:9][N:33]([C:24](=[N:27][C@H:15]([C:12]2=[CH:5][CH:7]=[C:14]([OH:35])[CH:6]=[CH:4]2)[C:18](=[N:26][C@@H:16]2[C:19](=[O:37])[N:34]3[C:17]([C:23](=[O:40])[OH:41])=[C:13]([CH2:11][S:44][C:25]4=[N:28][N:29]=[N:30][N:31]4[CH3:2])[CH2:10][S:43][C@H:22]23)[OH:36])[OH:42])[C:21](=[O:39])[C:20]1=[O:38].[Na+:45] |
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