| Properties | Image |
|---|
| MNX_ID | MNXM1365734 |
 |
| reference | envipathM:...a26983a73cba |
| formula | C48H71N10O13 |
| global charge | -3 |
| mol weight | 996.153 |
| InChIKey | FQBLZTSBHBGSOM-NDUWXMRTSA-K |
| InChI | InChI=1S/C48H74N10O13/c1-25(2)22-36(57-43(65)31(8)53-42(64)30(7)51-9)45(67)58-39(47(70)71)29(6)41(63)55-34(16-13-21-52-48(49)50)44(66)54-33(28(5)40(62)56-35(46(68)69)19-20-38(60)61)18-17-26(3)23-27(4)37(59)24-32-14-11-10-12-15-32/h10-12,14-15,17-18,23,25,27-29,31,33-37,39,51,59H,7,13,16,19-22,24H2,1-6,8-9H3,(H,53,64)(H,54,66)(H,55,63)(H,56,62)(H,57,65)(H,58,67)(H,60,61)(H,68,69)(H,70,71)(H4,49,50,52)/p-3/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1 |
| SMILES | C=C(NC)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@@H](O)CC1=CC=CC=C1)[C@H](C)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C48H74N10O13/c1-25(2)22-36(57-43(65)31(8)53-42(64)30(7)51-9)45(67)58-39(47(70)71)29(6)41(63)55-34(16-13-21-52-48(49)50)44(66)54-33(28(5)40(62)56-35(46(68)69)19-20-38(60)61)18-17-26(3)23-27(4)37(59)24-32-14-11-10-12-15-32/h10-12,14-15,17-18,23,25,27-29,31,33-37,39,51,59H,7,13,16,19-22,24H2,1-6,8-9H3,(H,53,64)(H,54,66)(H,55,63)(H,56,62)(H,57,65)(H,58,67)(H,60,61)(H,68,69)(H,70,71)(H4,49,50,52)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:25]([CH3:2])[CH2:22][C@@H:36]([C:45](=[N:58][C@H:39]([C@H:29]([CH3:6])[C:41](=[N:55][C@@H:34]([CH2:16][CH2:13][CH2:21][NH:52][C:48](=[NH:49])[NH2:50])[C:44](=[N:54][C@@H:33](/[CH:18]=[CH:17]/[C:26]([CH3:3])=[CH:23]/[C@H:27]([CH3:4])[C@H:37]([CH2:24][C:32]1=[CH:14][CH:11]=[CH:10][CH:12]=[CH:15]1)[OH:59])[C@H:28]([CH3:5])[C:40](=[N:56][C@H:35]([CH2:19][CH2:20][C:38](=[O:60])[OH:61])[C:46](=[O:68])[OH:69])[OH:62])[OH:66])[OH:63])[C:47](=[O:70])[OH:71])[OH:67])[N:57]=[C:43]([C@@H:31]([CH3:8])[N:53]=[C:42]([C:30](=[CH2:7])[NH:51][CH3:9])[OH:64])[OH:65] |
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