| Properties | Image |
|---|
| MNX_ID | MNXM1121536 |
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| reference | chebi:158924 |
| formula | C15H27N7O7 |
| global charge | 0 |
| mol weight | 417.423 |
| InChIKey | RKRSYHCNPFGMTA-CIUDSAMLSA-N |
| InChI | InChI=1S/C15H27N7O7/c16-7(2-1-5-20-15(18)19)12(26)21-8(3-4-11(24)25)13(27)22-9(14(28)29)6-10(17)23/h7-9H,1-6,16H2,(H2,17,23)(H,21,26)(H,22,27)(H,24,25)(H,28,29)(H4,18,19,20)/t7-,8-,9-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H27N7O7/c16-7(2-1-5-20-15(18)19)12(26)21-8(3-4-11(24)25)13(27)22-9(14(28)29)6-10(17)23/h7-9H,1-6,16H2,(H2,17,23)(H,21,26)(H,22,27)(H,24,25)(H,28,29)(H4,18,19,20)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:7]([C:12](=[N:21][C@@H:8]([CH2:3][CH2:4][C:11](=[O:24])[OH:25])[C:13](=[N:22][C@@H:9]([CH2:6][C:10](=[NH:17])[OH:23])[C:14](=[O:28])[OH:29])[OH:27])[OH:26])[NH2:16])[CH2:5][NH:20][C:15](=[NH:18])[NH2:19] |
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