| Properties | Image |
|---|
| MNX_ID | MNXM1132857 |
 |
| reference | metacycM:CPD-24323 |
| formula | C21H33AsN6O12S2 |
| global charge | -2 |
| mol weight | 700.581 |
| InChIKey | PFYKVCFNANBHRF-CYDGBPFRSA-L |
| InChI | InChI=1S/C21H35AsN6O12S2/c1-22(41-8-12(18(35)25-6-16(31)32)27-14(29)4-2-10(23)20(37)38)42-9-13(19(36)26-7-17(33)34)28-15(30)5-3-11(24)21(39)40/h10-13H,2-9,23-24H2,1H3,(H,25,35)(H,26,36)(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,37,38)(H,39,40)/p-2/t10-,11-,12-,13-/m0/s1 |
| SMILES | C[As](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C21H35AsN6O12S2/c1-22(41-8-12(18(35)25-6-16(31)32)27-14(29)4-2-10(23)20(37)38)42-9-13(19(36)26-7-17(33)34)28-15(30)5-3-11(24)21(39)40/h10-13H,2-9,23-24H2,1H3,(H,25,35)(H,26,36)(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,37,38)(H,39,40)/t10-,11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][As:22]([S:41][CH2:8][C@@H:12]([C:18](=[N:25][CH2:6][C:16](=[O:31])[OH:32])[OH:35])[N:27]=[C:14]([CH2:4][CH2:2][C@@H:10]([C:20](=[O:37])[OH:38])[NH2:23])[OH:29])[S:42][CH2:9][C@@H:13]([C:19](=[N:26][CH2:7][C:17](=[O:33])[OH:34])[OH:36])[N:28]=[C:15]([CH2:5][CH2:3][C@@H:11]([C:21](=[O:39])[OH:40])[NH2:24])[OH:30] |
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