| Properties | Image |
|---|
| MNX_ID | MNXM1125911 |
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| reference | chebi:163325 |
| formula | C27H29N5O6 |
| global charge | 0 |
| mol weight | 519.558 |
| InChIKey | XAXJIUAWAFVADB-VJBMBRPKSA-N |
| InChI | InChI=1S/C27H29N5O6/c28-19(9-10-24(33)34)25(35)31-22(11-15-13-29-20-7-3-1-5-17(15)20)26(36)32-23(27(37)38)12-16-14-30-21-8-4-2-6-18(16)21/h1-8,13-14,19,22-23,29-30H,9-12,28H2,(H,31,35)(H,32,36)(H,33,34)(H,37,38)/t19-,22-,23-/m0/s1 |
| SMILES | N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C27H29N5O6/c28-19(9-10-24(33)34)25(35)31-22(11-15-13-29-20-7-3-1-5-17(15)20)26(36)32-23(27(37)38)12-16-14-30-21-8-4-2-6-18(16)21/h1-8,13-14,19,22-23,29-30H,9-12,28H2,(H,31,35)(H,32,36)(H,33,34)(H,37,38)/t19-,22-,23-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:20]2[C:17](=[CH:5]1)[C:15]([CH2:11][C@@H:22]([C:26](=[N:32][C@@H:23]([CH2:12][C:16]1=[CH:14][NH:30][C:21]3=[CH:8][CH:4]=[CH:2][CH:6]=[C:18]13)[C:27](=[O:37])[OH:38])[OH:36])[N:31]=[C:25]([C@H:19]([CH2:9][CH2:10][C:24](=[O:33])[OH:34])[NH2:28])[OH:35])=[CH:13][NH:29]2 |
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