| Properties | Image |
|---|
| MNX_ID | MNXM164752 |
 |
| reference | biggM:CE2751 |
| formula | C28H37N5O7 |
| global charge | 0 |
| mol weight | 555.632 |
| InChIKey | URLZCHNOLZSCCA-XPWALMASSA-N |
| InChI | InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22+,23-/m1/s1 |
| SMILES | CC(C)C[C@@H](N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)CN=C(O)CN=C(O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22+,23-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[CH2:12][C@H:23]([C:28](=[O:39])[OH:40])[N:33]=[C:27]([C@H:22]([CH2:14][C:18]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[N:32]=[C:25]([CH2:16][N:30]=[C:24]([CH2:15][N:31]=[C:26]([C@@H:21]([CH2:13][C:19]1=[CH:9][CH:11]=[C:20]([OH:34])[CH:10]=[CH:8]1)[NH2:29])[OH:37])[OH:35])[OH:36])[OH:38] |
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