| Properties | Image |
|---|
| MNX_ID | MNXM1133068 |
 |
| reference | sabiorkM:32097 |
| formula | C44H61N11O10 |
| global charge | 0 |
| mol weight | 904.039 |
| InChIKey | ZZHVXIPXTCBVBE-UHFFFAOYSA-N |
| InChI | InChI=1S/C44H61N11O10/c45-44(46)48-20-8-16-30(43(64)65)51-38(59)32(24-28-13-5-2-6-14-28)52-40(61)35-18-10-22-55(35)42(63)33(26-56)53-37(58)31(23-27-11-3-1-4-12-27)50-36(57)25-49-39(60)34-17-9-21-54(34)41(62)29-15-7-19-47-29/h1-6,11-14,29-35,47,56H,7-10,15-26H2,(H,49,60)(H,50,57)(H,51,59)(H,52,61)(H,53,58)(H,64,65)(H4,45,46,48) |
| SMILES | N=C(N)NCCCC(N=C(O)C(CC1=CC=CC=C1)N=C(O)C1CCCN1C(=O)C(CO)N=C(O)C(CC1=CC=CC=C1)N=C(O)CN=C(O)C1CCCN1C(=O)C1CCCN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C44H61N11O10/c45-44(46)48-20-8-16-30(43(64)65)51-38(59)32(24-28-13-5-2-6-14-28)52-40(61)35-18-10-22-55(35)42(63)33(26-56)53-37(58)31(23-27-11-3-1-4-12-27)50-36(57)25-49-39(60)34-17-9-21-54(34)41(62)29-15-7-19-47-29/h1-6,11-14,29-35,47,56H,7-10,15-26H2,(H,49,60)(H,50,57)(H,51,59)(H,52,61)(H,53,58)(H,64,65)(H4,45,46,48)/t29?,30?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][CH:11]=[C:27]([CH2:23][CH:31]([C:37](=[N:53][CH:33]([CH2:26][OH:56])[C:42]([N:55]2[CH2:22][CH2:10][CH2:18][CH:35]2[C:40](=[N:52][CH:32]([CH2:24][C:28]2=[CH:13][CH:5]=[CH:2][CH:6]=[CH:14]2)[C:38](=[N:51][CH:30]([CH2:16][CH2:8][CH2:20][NH:48][C:44](=[NH:45])[NH2:46])[C:43](=[O:64])[OH:65])[OH:59])[OH:61])=[O:63])[OH:58])[N:50]=[C:36]([CH2:25][N:49]=[C:39]([CH:34]2[CH2:17][CH2:9][CH2:21][N:54]2[C:41]([CH:29]2[CH2:15][CH2:7][CH2:19][NH:47]2)=[O:62])[OH:60])[OH:57])[CH:12]=[CH:4]1 |
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