| Properties | Image |
|---|
| MNX_ID | MNXM744838 |
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| reference | biggM:phelyspro |
| formula | C20H31N4O4 |
| global charge | 1 |
| mol weight | 391.492 |
| InChIKey | BNRFQGLWLQESBG-IKGGRYGDSA-O |
| InChI | InChI=1S/C20H30N4O4/c21-11-5-4-9-16(19(26)24-12-6-10-17(24)20(27)28)23-18(25)15(22)13-14-7-2-1-3-8-14/h1-3,7-8,15-17H,4-6,9-13,21-22H2,(H,23,25)(H,27,28)/p+1/t15-,16+,17+/m1/s1 |
| SMILES | N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H30N4O4/c21-11-5-4-9-16(19(26)24-12-6-10-17(24)20(27)28)23-18(25)15(22)13-14-7-2-1-3-8-14/h1-3,7-8,15-17H,4-6,9-13,21-22H2,(H,23,25)(H,27,28)/t15-,16+,17+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:7]=[C:14]([CH2:13][C@H:15]([C:18](=[N:23][C@@H:16]([CH2:9][CH2:4][CH2:5][CH2:11][NH2:21])[C:19]([N:24]2[CH2:12][CH2:6][CH2:10][C@H:17]2[C:20](=[O:27])[OH:28])=[O:26])[OH:25])[NH2:22])[CH:8]=[CH:3]1 |
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