| Properties | Image |
|---|
| MNX_ID | MNXM744622 |
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| reference | biggM:argargmet |
| formula | C17H37N9O4S |
| global charge | 2 |
| mol weight | 463.609 |
| InChIKey | HJWQFFYRVFEWRM-GRYCIOLGSA-P |
| InChI | InChI=1S/C17H35N9O4S/c1-31-9-6-12(15(29)30)26-14(28)11(5-3-8-24-17(21)22)25-13(27)10(18)4-2-7-23-16(19)20/h10-12H,2-9,18H2,1H3,(H,25,27)(H,26,28)(H,29,30)(H4,19,20,23)(H4,21,22,24)/p+2/t10-,11+,12-/m1/s1 |
| SMILES | CSCC[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H35N9O4S/c1-31-9-6-12(15(29)30)26-14(28)11(5-3-8-24-17(21)22)25-13(27)10(18)4-2-7-23-16(19)20/h10-12H,2-9,18H2,1H3,(H,25,27)(H,26,28)(H,29,30)(H4,19,20,23)(H4,21,22,24)/t10-,11+,12-/m1/s1 |
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| SMILES (mnx) | [CH3:1][S:31][CH2:9][CH2:6][C@H:12]([C:15](=[O:29])[OH:30])[N:26]=[C:14]([C@H:11]([CH2:5][CH2:3][CH2:8][NH:24][C:17](=[NH:21])[NH2:22])[N:25]=[C:13]([C@@H:10]([CH2:4][CH2:2][CH2:7][NH:23][C:16](=[NH:19])[NH2:20])[NH2:18])[OH:27])[OH:28] |
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