| Properties | Image |
|---|
| MNX_ID | MNXM1384753 |
 |
| reference | chebi:202647 |
| formula | C27H35N3O7 |
| global charge | 0 |
| mol weight | 513.591 |
| InChIKey | CNIODEQJTNEOAX-VHOBQHEYSA-N |
| InChI | InChI=1S/C27H35N3O7/c1-3-20(2)25(27(36)37)30-24(33)17-15-13-11-9-7-5-4-6-8-10-12-14-16-23(32)29-21(26(34)35)18-19-22(28)31/h4-17,20-21,25H,3,18-19H2,1-2H3,(H2,28,31)(H,29,32)(H,30,33)(H,34,35)(H,36,37)/b5-4+,8-6+,9-7+,12-10+,13-11+,16-14+,17-15+/t20-,21-,25-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C27H35N3O7/c1-3-20(2)25(27(36)37)30-24(33)17-15-13-11-9-7-5-4-6-8-10-12-14-16-23(32)29-21(26(34)35)18-19-22(28)31/h4-17,20-21,25H,3,18-19H2,1-2H3,(H2,28,31)(H,29,32)(H,30,33)(H,34,35)(H,36,37)/b5-4+,8-6+,9-7+,12-10+,13-11+,16-14+,17-15+/t20-,21-,25-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:20]([CH3:2])[C@@H:25]([C:27](=[O:36])[OH:37])/[N:30]=[C:24](/[CH:17]=[CH:15]/[CH:13]=[CH:11]/[CH:9]=[CH:7]/[CH:5]=[CH:4]/[CH:6]=[CH:8]/[CH:10]=[CH:12]/[CH:14]=[CH:16]/[C:23](=[N:29]/[C@@H:21]([CH2:18][CH2:19][C:22](=[NH:28])[OH:31])[C:26](=[O:34])[OH:35])[OH:32])[OH:33] |
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