| Properties | Image |
|---|
| MNX_ID | MNXM744977 |
 |
| reference | biggM:valphearg |
| formula | C20H33N6O4 |
| global charge | 1 |
| mol weight | 421.522 |
| InChIKey | VNGKMNPAENRGDC-OWCLPIDISA-O |
| InChI | InChI=1S/C20H32N6O4/c1-12(2)16(21)18(28)26-15(11-13-7-4-3-5-8-13)17(27)25-14(19(29)30)9-6-10-24-20(22)23/h3-5,7-8,12,14-16H,6,9-11,21H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H4,22,23,24)/p+1/t14-,15+,16-/m1/s1 |
| SMILES | CC(C)[C@@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H32N6O4/c1-12(2)16(21)18(28)26-15(11-13-7-4-3-5-8-13)17(27)25-14(19(29)30)9-6-10-24-20(22)23/h3-5,7-8,12,14-16H,6,9-11,21H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H4,22,23,24)/t14-,15+,16-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[C@H:16]([C:18](=[N:26][C@@H:15]([CH2:11][C:13]1=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]1)[C:17](=[N:25][C@H:14]([CH2:9][CH2:6][CH2:10][NH:24][C:20](=[NH:22])[NH2:23])[C:19](=[O:29])[OH:30])[OH:27])[OH:28])[NH2:21] |
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