| Properties | Image |
|---|
| MNX_ID | MNXM1121651 |
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| reference | chebi:159040 |
| formula | C18H37N9O4 |
| global charge | 0 |
| mol weight | 443.553 |
| InChIKey | NVUIWHJLPSZZQC-CYDGBPFRSA-N |
| InChI | InChI=1S/C18H37N9O4/c1-3-10(2)13(27-14(28)11(19)6-4-8-24-17(20)21)15(29)26-12(16(30)31)7-5-9-25-18(22)23/h10-13H,3-9,19H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)(H4,20,21,24)(H4,22,23,25)/t10-,11-,12-,13-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H37N9O4/c1-3-10(2)13(27-14(28)11(19)6-4-8-24-17(20)21)15(29)26-12(16(30)31)7-5-9-25-18(22)23/h10-13H,3-9,19H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)(H4,20,21,24)(H4,22,23,25)/t10-,11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:10]([CH3:2])[C@@H:13]([C:15](=[N:26][C@@H:12]([CH2:7][CH2:5][CH2:9][NH:25][C:18](=[NH:22])[NH2:23])[C:16](=[O:30])[OH:31])[OH:29])[N:27]=[C:14]([C@H:11]([CH2:6][CH2:4][CH2:8][NH:24][C:17](=[NH:20])[NH2:21])[NH2:19])[OH:28] |
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