| Properties | Image |
|---|
| MNX_ID | MNXM741126 |
 |
| reference | chebi:10095 |
| formula | C30H39N9O6 |
| global charge | 0 |
| mol weight | 621.699 |
| InChIKey | DLELKZFCVLJXKZ-GOTSBHOMSA-N |
| InChI | InChI=1S/C30H39N9O6/c1-18-15-25(40)45-24-16-20(11-12-21(18)24)37-26(41)22(9-5-13-35-28(31)32)38-27(42)23(10-6-14-36-29(33)34)39-30(43)44-17-19-7-3-2-4-8-19/h2-4,7-8,11-12,15-16,22-23H,5-6,9-10,13-14,17H2,1H3,(H,37,41)(H,38,42)(H,39,43)(H4,31,32,35)(H4,33,34,36)/t22-,23-/m0/s1 |
| SMILES | CC1=CC(=O)OC2=CC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCC3=CC=CC=C3)=CC=C12 |
MNX internals
| InChI (mnx) | InChI=1/C30H39N9O6/c1-18-15-25(40)45-24-16-20(11-12-21(18)24)37-26(41)22(9-5-13-35-28(31)32)38-27(42)23(10-6-14-36-29(33)34)39-30(43)44-17-19-7-3-2-4-8-19/h2-4,7-8,11-12,15-16,22-23H,5-6,9-10,13-14,17H2,1H3,(H,37,41)(H,38,42)(H,39,43)(H4,31,32,35)(H4,33,34,36)/t22-,23-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]1=[CH:15][C:25](=[O:40])[O:45][C:24]2=[C:21]1[CH:12]=[CH:11][C:20]([N:37]=[C:26]([C@H:22]([CH2:9][CH2:5][CH2:13][NH:35][C:28](=[NH:31])[NH2:32])[N:38]=[C:27]([C@H:23]([CH2:10][CH2:6][CH2:14][NH:36][C:29](=[NH:33])[NH2:34])[N:39]=[C:30]([OH:43])[O:44][CH2:17][C:19]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[OH:42])[OH:41])=[CH:16]2 |
|