| Properties | Image |
|---|
| MNX_ID | MNXM148312 |
 |
| reference | metacycM:CPD-17164 |
| formula | C24H40N9O6 |
| global charge | 1 |
| mol weight | 550.641 |
| InChIKey | VEHHJKWSXZMIGU-CYOPCNPXSA-O |
| InChI | InChI=1S/C24H39N9O6/c1-12(2)11-14(25)20(34)31-18(13(3)7-9-32(4)23(27)28)21(35)29-15-5-6-17(39-19(15)22(36)37)33-10-8-16(26)30-24(33)38/h5-6,8,10,12-15,17-19H,7,9,11,25H2,1-4H3,(H3,27,28)(H,29,35)(H,31,34)(H,36,37)(H2,26,30,38)/p+1/t13?,14-,15-,17+,18-,19-/m0/s1 |
| SMILES | CC(C)C[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)[O-])C(C)CCN(C)C(N)=[NH2+] |
MNX internals
| InChI (mnx) | InChI=1/C24H39N9O6/c1-12(2)11-14(25)20(34)31-18(13(3)7-9-32(4)23(27)28)21(35)29-15-5-6-17(39-19(15)22(36)37)33-10-8-16(26)30-24(33)38/h5-6,8,10,12-15,17-19H,7,9,11,25H2,1-4H3,(H3,27,28)(H,29,35)(H,31,34)(H,36,37)(H2,26,30,38)/t13?,14-,15-,17+,18-,19-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[CH2:11][C@@H:14]([C:20](=[N:31][C@@H:18]([CH:13]([CH3:3])[CH2:7][CH2:9][N:32]([CH3:4])[C:23](=[NH:27])[NH2:28])[C:21](=[N:29][C@H:15]1[CH:5]=[CH:6][C@H:17]([N:33]2[CH:10]=[CH:8][C:16](=[NH:26])[N:30]=[C:24]2[OH:38])[O:39][C@@H:19]1[C:22](=[O:36])[OH:37])[OH:35])[OH:34])[NH2:25] |
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