| Properties | Image |
| MNX_ID | MNXM1125496 |
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| reference | chebi:162908 |
| formula | C12H21N5O7 |
| global charge | 0 |
| mol weight | 347.328 |
| InChIKey | BCKYYTVFBXHPOG-ACZMJKKPSA-N |
| InChI | InChI=1S/C12H21N5O7/c13-5(4-18)10(21)17-7(3-9(15)20)11(22)16-6(12(23)24)1-2-8(14)19/h5-7,18H,1-4,13H2,(H2,14,19)(H2,15,20)(H,16,22)(H,17,21)(H,23,24)/t5-,6-,7-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N5O7/c13-5(4-18)10(21)17-7(3-9(15)20)11(22)16-6(12(23)24)1-2-8(14)19/h5-7,18H,1-4,13H2,(H2,14,19)(H2,15,20)(H,16,22)(H,17,21)(H,23,24)/t5-,6-,7-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:8](=[NH:14])[OH:19])[C@@H:6]([C:12](=[O:23])[OH:24])[N:16]=[C:11]([C@H:7]([CH2:3][C:9](=[NH:15])[OH:20])[N:17]=[C:10]([C@H:5]([CH2:4][OH:18])[NH2:13])[OH:21])[OH:22] |
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