| Properties | Image |
|---|
| MNX_ID | MNXM1125000 |
 |
| reference | chebi:162410 |
| formula | C25H29N5O5 |
| global charge | 0 |
| mol weight | 479.537 |
| InChIKey | PDXIOFXRBVDSHD-JBACZVJFSA-N |
| InChI | InChI=1S/C25H29N5O5/c26-18(10-11-22(27)31)23(32)29-20(12-15-6-2-1-3-7-15)24(33)30-21(25(34)35)13-16-14-28-19-9-5-4-8-17(16)19/h1-9,14,18,20-21,28H,10-13,26H2,(H2,27,31)(H,29,32)(H,30,33)(H,34,35)/t18-,20-,21-/m0/s1 |
| SMILES | NC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C25H29N5O5/c26-18(10-11-22(27)31)23(32)29-20(12-15-6-2-1-3-7-15)24(33)30-21(25(34)35)13-16-14-28-19-9-5-4-8-17(16)19/h1-9,14,18,20-21,28H,10-13,26H2,(H2,27,31)(H,29,32)(H,30,33)(H,34,35)/t18-,20-,21-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:15]([CH2:12][C@@H:20]([C:24](=[N:30][C@@H:21]([CH2:13][C:16]2=[CH:14][NH:28][C:19]3=[CH:9][CH:5]=[CH:4][CH:8]=[C:17]23)[C:25](=[O:34])[OH:35])[OH:33])[N:29]=[C:23]([C@H:18]([CH2:10][CH2:11][C:22](=[NH:27])[OH:31])[NH2:26])[OH:32])[CH:7]=[CH:3]1 |
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