| Properties | Image |
|---|
| MNX_ID | MNXM1122475 |
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| reference | chebi:159868 |
| formula | C21H29N5O5 |
| global charge | 0 |
| mol weight | 431.493 |
| InChIKey | GOKCTAJWRPSCHP-VHWLVUOQSA-N |
| InChI | InChI=1S/C21H29N5O5/c1-3-11(2)18(26-19(28)14(22)9-17(23)27)20(29)25-16(21(30)31)8-12-10-24-15-7-5-4-6-13(12)15/h4-7,10-11,14,16,18,24H,3,8-9,22H2,1-2H3,(H2,23,27)(H,25,29)(H,26,28)(H,30,31)/t11-,14-,16-,18-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H29N5O5/c1-3-11(2)18(26-19(28)14(22)9-17(23)27)20(29)25-16(21(30)31)8-12-10-24-15-7-5-4-6-13(12)15/h4-7,10-11,14,16,18,24H,3,8-9,22H2,1-2H3,(H2,23,27)(H,25,29)(H,26,28)(H,30,31)/t11-,14-,16-,18-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:11]([CH3:2])[C@@H:18]([C:20](=[N:25][C@@H:16]([CH2:8][C:12]1=[CH:10][NH:24][C:15]2=[CH:7][CH:5]=[CH:4][CH:6]=[C:13]12)[C:21](=[O:30])[OH:31])[OH:29])[N:26]=[C:19]([C@H:14]([CH2:9][C:17](=[NH:23])[OH:27])[NH2:22])[OH:28] |
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