PE 22-28

more ids

← Previous revision Revision as of 07:34, 11 December 2025
Line 20: Line 20:
| duration_of_action =
| duration_of_action =
| excretion = <!– Identifiers –>
| excretion = <!– Identifiers –>
| CAS_number =
| CAS_number =
| PubChem =
| PubChem =
| IUPHAR_ligand =
| IUPHAR_ligand =
| DrugBank =
| DrugBank =
| ChemSpiderID =
| ChemSpiderID =
| UNII =
| UNII =
| KEGG =
| KEGG =
Line 31: Line 31:
| NIAID_ChemDB =
| NIAID_ChemDB =
| PDB_ligand = <!– Chemical and physical data –>
| PDB_ligand = <!– Chemical and physical data –>
| IUPAC_name = (2”S”)-2-[[(2”S”)-2-[[2-[[(2”S”)-2-[[(2”S”)-2-[[(2”S”)-2-<nowiki>[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid</nowiki>
| IUPAC_name = <nowiki></nowiki>
| C = 35
| C = 35
| H = 56
| H = 56
| N = 12
| N = 12
| O = 9
| O = 9
| StdInChI=1S/C35H55N11O9/c1-18(2)12-24(31(51)43-23(34(54)55)10-7-11-39-35(37)38)42-28(49)16-41-30(50)25(13-20-15-40-22-9-6-5-8-21(20)22)44-32(52)26(17-47)45-33(53)29(19(3)4)46-27(48)14-36/h5-6,8-9,15,18-19,23-26,29,40,47H,7,10-14,16-17,36H2,1-4H3,(H,41,50)(H,42,49)(H,43,51)(H,44,52)(H,45,53)(H,46,48)(H,54,55)(H4,37,38,39)/t23-,24-,25-,26-,29-/m0/s1
| StdInChI =
| StdInChIKey =
| StdInChIKey =
| SMILES = OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)CO)Cc1c[NH]c2ccccc21)CCCCN)CCCNC(N)=N
| SMILES = OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)CO)Cc1c[NH]c2ccccc21)CCCCN)CCCNC(N)=N
}}
}}

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