| Properties | Image |
|---|
| MNX_ID | MNXM148313 |
 |
| reference | metacycM:CPD-17168 |
| formula | C23H38N9O6 |
| global charge | 1 |
| mol weight | 536.614 |
| InChIKey | CMEAFYGYVWZYDO-QERJWTBHSA-O |
| InChI | InChI=1S/C23H37N9O6/c1-12(2)10-14(24)20(34)28-13(6-8-31(3)22(26)27)11-17(33)29-15-4-5-18(38-19(15)21(35)36)32-9-7-16(25)30-23(32)37/h4-5,7,9,12-15,18-19H,6,8,10-11,24H2,1-3H3,(H3,26,27)(H,28,34)(H,29,33)(H,35,36)(H2,25,30,37)/p+1/t13-,14-,15-,18+,19-/m0/s1 |
| SMILES | CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CCN(C)C(N)=[NH2+])CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C23H37N9O6/c1-12(2)10-14(24)20(34)28-13(6-8-31(3)22(26)27)11-17(33)29-15-4-5-18(38-19(15)21(35)36)32-9-7-16(25)30-23(32)37/h4-5,7,9,12-15,18-19H,6,8,10-11,24H2,1-3H3,(H3,26,27)(H,28,34)(H,29,33)(H,35,36)(H2,25,30,37)/t13-,14-,15-,18+,19-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[CH2:10][C@@H:14]([C:20](=[N:28][C@@H:13]([CH2:6][CH2:8][N:31]([CH3:3])[C:22](=[NH:26])[NH2:27])[CH2:11][C:17](=[N:29][C@H:15]1[CH:4]=[CH:5][C@H:18]([N:32]2[CH:9]=[CH:7][C:16](=[NH:25])[N:30]=[C:23]2[OH:37])[O:38][C@@H:19]1[C:21](=[O:35])[OH:36])[OH:33])[OH:34])[NH2:24] |
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