| Properties | Image |
|---|
| MNX_ID | MNXM744631 |
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| reference | biggM:argphearg |
| formula | C21H37N9O4 |
| global charge | 2 |
| mol weight | 479.586 |
| InChIKey | INXWADWANGLMPJ-OAGGEKHMSA-P |
| InChI | InChI=1S/C21H35N9O4/c22-14(8-4-10-27-20(23)24)17(31)30-16(12-13-6-2-1-3-7-13)18(32)29-15(19(33)34)9-5-11-28-21(25)26/h1-3,6-7,14-16H,4-5,8-12,22H2,(H,29,32)(H,30,31)(H,33,34)(H4,23,24,27)(H4,25,26,28)/p+2/t14-,15-,16+/m1/s1 |
| SMILES | NC(=[NH2+])NCCC[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/C21H35N9O4/c22-14(8-4-10-27-20(23)24)17(31)30-16(12-13-6-2-1-3-7-13)18(32)29-15(19(33)34)9-5-11-28-21(25)26/h1-3,6-7,14-16H,4-5,8-12,22H2,(H,29,32)(H,30,31)(H,33,34)(H4,23,24,27)(H4,25,26,28)/t14-,15-,16+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:13]([CH2:12][C@@H:16]([C:18](=[N:29][C@H:15]([CH2:9][CH2:5][CH2:11][NH:28][C:21](=[NH:25])[NH2:26])[C:19](=[O:33])[OH:34])[OH:32])[N:30]=[C:17]([C@@H:14]([CH2:8][CH2:4][CH2:10][NH:27][C:20](=[NH:23])[NH2:24])[NH2:22])[OH:31])[CH:7]=[CH:3]1 |
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