| Properties | Image |
|---|
| MNX_ID | MNXM744878 |
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| reference | biggM:serargtrp |
| formula | C20H30N7O5 |
| global charge | 1 |
| mol weight | 448.504 |
| InChIKey | HZWAHWQZPSXNCB-VNQPRFMTSA-O |
| InChI | InChI=1S/C20H29N7O5/c21-13(10-28)17(29)26-15(6-3-7-24-20(22)23)18(30)27-16(19(31)32)8-11-9-25-14-5-2-1-4-12(11)14/h1-2,4-5,9,13,15-16,25,28H,3,6-8,10,21H2,(H,26,29)(H,27,30)(H,31,32)(H4,22,23,24)/p+1/t13-,15+,16-/m1/s1 |
| SMILES | NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](N)CO)C(=O)N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H29N7O5/c21-13(10-28)17(29)26-15(6-3-7-24-20(22)23)18(30)27-16(19(31)32)8-11-9-25-14-5-2-1-4-12(11)14/h1-2,4-5,9,13,15-16,25,28H,3,6-8,10,21H2,(H,26,29)(H,27,30)(H,31,32)(H4,22,23,24)/t13-,15+,16-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:14]2[C:12](=[CH:4]1)[C:11]([CH2:8][C@H:16]([C:19](=[O:31])[OH:32])[N:27]=[C:18]([C@H:15]([CH2:6][CH2:3][CH2:7][NH:24][C:20](=[NH:22])[NH2:23])[N:26]=[C:17]([C@@H:13]([CH2:10][OH:28])[NH2:21])[OH:29])[OH:30])=[CH:9][NH:25]2 |
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