| Properties | Image |
|---|
| MNX_ID | MNXM1120527 |
 |
| reference | chebi:157907 |
| formula | C23H33N5O6 |
| global charge | 0 |
| mol weight | 475.546 |
| InChIKey | NWUIBMXICBBZQQ-DWRORGKVSA-N |
| InChI | InChI=1S/C23H33N5O6/c1-13(2)19(28-20(30)15-9-6-10-25-15)22(32)26-16(12-18(24)29)21(31)27-17(23(33)34)11-14-7-4-3-5-8-14/h3-5,7-8,13,15-17,19,25H,6,9-12H2,1-2H3,(H2,24,29)(H,26,32)(H,27,31)(H,28,30)(H,33,34)/t15-,16-,17-,19-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H33N5O6/c1-13(2)19(28-20(30)15-9-6-10-25-15)22(32)26-16(12-18(24)29)21(31)27-17(23(33)34)11-14-7-4-3-5-8-14/h3-5,7-8,13,15-17,19,25H,6,9-12H2,1-2H3,(H2,24,29)(H,26,32)(H,27,31)(H,28,30)(H,33,34)/t15-,16-,17-,19-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[C@@H:19]([C:22](=[N:26][C@@H:16]([CH2:12][C:18](=[NH:24])[OH:29])[C:21](=[N:27][C@@H:17]([CH2:11][C:14]1=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]1)[C:23](=[O:33])[OH:34])[OH:31])[OH:32])[N:28]=[C:20]([C@@H:15]1[CH2:9][CH2:6][CH2:10][NH:25]1)[OH:30] |
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