| Properties | Image |
|---|
| MNX_ID | MNXM1123878 |
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| reference | chebi:161280 |
| formula | C21H35N9O4 |
| global charge | 0 |
| mol weight | 477.57 |
| InChIKey | LZDIENNKWVXJMX-JYJNAYRXSA-N |
| InChI | InChI=1S/C21H35N9O4/c22-14(12-13-6-2-1-3-7-13)17(31)29-15(8-4-10-27-20(23)24)18(32)30-16(19(33)34)9-5-11-28-21(25)26/h1-3,6-7,14-16H,4-5,8-12,22H2,(H,29,31)(H,30,32)(H,33,34)(H4,23,24,27)(H4,25,26,28)/t14-,15-,16-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H35N9O4/c22-14(12-13-6-2-1-3-7-13)17(31)29-15(8-4-10-27-20(23)24)18(32)30-16(19(33)34)9-5-11-28-21(25)26/h1-3,6-7,14-16H,4-5,8-12,22H2,(H,29,31)(H,30,32)(H,33,34)(H4,23,24,27)(H4,25,26,28)/t14-,15-,16-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:13]([CH2:12][C@@H:14]([C:17](=[N:29][C@@H:15]([CH2:8][CH2:4][CH2:10][NH:27][C:20](=[NH:23])[NH2:24])[C:18](=[N:30][C@@H:16]([CH2:9][CH2:5][CH2:11][NH:28][C:21](=[NH:25])[NH2:26])[C:19](=[O:33])[OH:34])[OH:32])[OH:31])[NH2:22])[CH:7]=[CH:3]1 |
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