| Properties | Image |
|---|
| MNX_ID | MNXM744740 |
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| reference | biggM:hisglugln |
| formula | C16H23N6O7 |
| global charge | -1 |
| mol weight | 411.395 |
| InChIKey | BQFGKVYHKCNEMF-OUAUKWLOSA-M |
| InChI | InChI=1S/C16H24N6O7/c17-9(5-8-6-19-7-20-8)14(26)21-10(2-4-13(24)25)15(27)22-11(16(28)29)1-3-12(18)23/h6-7,9-11H,1-5,17H2,(H2,18,23)(H,19,20)(H,21,26)(H,22,27)(H,24,25)(H,28,29)/p-1/t9-,10+,11-/m1/s1 |
| SMILES | NC(=O)CC[C@@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](N)CC1=CNC=N1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H24N6O7/c17-9(5-8-6-19-7-20-8)14(26)21-10(2-4-13(24)25)15(27)22-11(16(28)29)1-3-12(18)23/h6-7,9-11H,1-5,17H2,(H2,18,23)(H,19,20)(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t9-,10+,11-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:3][C:12](=[NH:18])[OH:23])[C@H:11]([C:16](=[O:28])[OH:29])[N:22]=[C:15]([C@H:10]([CH2:2][CH2:4][C:13](=[O:24])[OH:25])[N:21]=[C:14]([C@@H:9]([CH2:5][C:8]1=[CH:6][N:19]=[CH:7][NH:20]1)[NH2:17])[OH:26])[OH:27] |
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