| Properties | Image |
|---|
| MNX_ID | MNXM164587 |
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| reference | sabiorkM:21190 |
| formula | C33H36N6O6 |
| global charge | 0 |
| mol weight | 612.687 |
| InChIKey | ZZGDDBWFXDMARY-SVBPBHIXSA-N |
| InChI | InChI=1S/C33H36N6O6/c1-21-17-29(40)45-28-19-24(14-15-25(21)28)37-30(41)26(13-8-16-36-32(34)35)38-31(42)27(18-22-9-4-2-5-10-22)39-33(43)44-20-23-11-6-3-7-12-23/h2-7,9-12,14-15,17,19,26-27H,8,13,16,18,20H2,1H3,(H,37,41)(H,38,42)(H,39,43)(H4,34,35,36)/t26-,27-/m0/s1 |
| SMILES | CC1=CC(=O)OC2=C1C=CC(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)OCC1=CC=CC=C1)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C33H36N6O6/c1-21-17-29(40)45-28-19-24(14-15-25(21)28)37-30(41)26(13-8-16-36-32(34)35)38-31(42)27(18-22-9-4-2-5-10-22)39-33(43)44-20-23-11-6-3-7-12-23/h2-7,9-12,14-15,17,19,26-27H,8,13,16,18,20H2,1H3,(H,37,41)(H,38,42)(H,39,43)(H4,34,35,36)/t26-,27-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:21]1=[CH:17][C:29](=[O:40])[O:45][C:28]2=[C:25]1[CH:15]=[CH:14][C:24]([N:37]=[C:30]([C@H:26]([CH2:13][CH2:8][CH2:16][NH:36][C:32](=[NH:34])[NH2:35])[N:38]=[C:31]([C@H:27]([CH2:18][C:22]1=[CH:9][CH:4]=[CH:2][CH:5]=[CH:10]1)[N:39]=[C:33]([OH:43])[O:44][CH2:20][C:23]1=[CH:11][CH:6]=[CH:3][CH:7]=[CH:12]1)[OH:42])[OH:41])=[CH:19]2 |
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