| Properties | Image |
|---|
| MNX_ID | MNXM1127326 |
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| reference | chebi:164749 |
| formula | C28H33N5O4 |
| global charge | 0 |
| mol weight | 503.603 |
| InChIKey | YTZYHKOSHOXTHA-TUSQITKMSA-N |
| InChI | InChI=1S/C28H33N5O4/c1-16(2)11-24(32-26(34)21(29)12-17-14-30-22-9-5-3-7-19(17)22)27(35)33-25(28(36)37)13-18-15-31-23-10-6-4-8-20(18)23/h3-10,14-16,21,24-25,30-31H,11-13,29H2,1-2H3,(H,32,34)(H,33,35)(H,36,37)/t21-,24-,25-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C28H33N5O4/c1-16(2)11-24(32-26(34)21(29)12-17-14-30-22-9-5-3-7-19(17)22)27(35)33-25(28(36)37)13-18-15-31-23-10-6-4-8-20(18)23/h3-10,14-16,21,24-25,30-31H,11-13,29H2,1-2H3,(H,32,34)(H,33,35)(H,36,37)/t21-,24-,25-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[CH2:11][C@@H:24]([C:27](=[N:33][C@@H:25]([CH2:13][C:18]1=[CH:15][NH:31][C:23]2=[CH:10][CH:6]=[CH:4][CH:8]=[C:20]12)[C:28](=[O:36])[OH:37])[OH:35])[N:32]=[C:26]([C@H:21]([CH2:12][C:17]1=[CH:14][NH:30][C:22]2=[CH:9][CH:5]=[CH:3][CH:7]=[C:19]12)[NH2:29])[OH:34] |
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