| Properties | Image |
|---|
| MNX_ID | MNXM744968 |
 |
| reference | chebi:166008 |
| formula | C29H30N4O5 |
| global charge | 0 |
| mol weight | 514.582 |
| InChIKey | ABZWHLRQBSBPTO-RNXOBYDBSA-N |
| InChI | InChI=1S/C29H30N4O5/c30-23(14-19-10-12-21(34)13-11-19)27(35)32-25(16-20-17-31-24-9-5-4-8-22(20)24)28(36)33-26(29(37)38)15-18-6-2-1-3-7-18/h1-13,17,23,25-26,31,34H,14-16,30H2,(H,32,35)(H,33,36)(H,37,38)/t23-,25-,26-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C29H30N4O5/c30-23(14-19-10-12-21(34)13-11-19)27(35)32-25(16-20-17-31-24-9-5-4-8-22(20)24)28(36)33-26(29(37)38)15-18-6-2-1-3-7-18/h1-13,17,23,25-26,31,34H,14-16,30H2,(H,32,35)(H,33,36)(H,37,38)/t23-,25-,26-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:18]([CH2:15][C@@H:26]([C:29](=[O:37])[OH:38])[N:33]=[C:28]([C@H:25]([CH2:16][C:20]2=[CH:17][NH:31][C:24]3=[CH:9][CH:5]=[CH:4][CH:8]=[C:22]23)[N:32]=[C:27]([C@H:23]([CH2:14][C:19]2=[CH:11][CH:13]=[C:21]([OH:34])[CH:12]=[CH:10]2)[NH2:30])[OH:35])[OH:36])[CH:7]=[CH:3]1 |
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