viral macrophage inflammatory protein-II   

GtoPdb Ligand ID: 768

Abbreviated name: vMIP-II
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES NCCCCC1NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(N)CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC1=O)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)C(C)C)C(=O)O)C(O)C
Isomeric SMILES NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)C(C)C)C(=O)O)[C@H](O)C
InChI InChI=1S/C55H93N19O14S2/c1-28(2)23-37-50(84)74-43(30(5)75)52(86)69-35(15-9-10-20-56)47(81)67-33(16-11-21-63-54(59)60)45(79)65-25-41(77)66-34(17-12-22-64-55(61)62)46(80)68-36(18-19-40(58)76)48(82)73-42(29(3)4)51(85)72-39(53(87)88)27-90-89-26-32(57)44(78)70-38(49(83)71-37)24-31-13-7-6-8-14-31/h6-8,13-14,28-30,32-39,42-43,75H,9-12,15-27,56-57H2,1-5H3,(H2,58,76)(H,65,79)(H,66,77)(H,67,81)(H,68,80)(H,69,86)(H,70,78)(H,71,83)(H,72,85)(H,73,82)(H,74,84)(H,87,88)(H4,59,60,63)(H4,61,62,64)/t30-,32+,33+,34+,35+,36+,37+,38+,39+,42+,43+/m1/s1
InChI Key JOEHPBQVSCDCHE-BKGQOYFSSA-N
Classification
Compound class Peptide or derivative
IUPAC Name
(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-amino-22-(4-aminobutyl)-10-(3-amino-3-oxopropyl)-13,19-bis[3-(diaminomethylideneamino)propyl]-25-(1-hydroxyethyl)-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-31-(phenylmethyl)-7-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid
Database Links
GtoPdb PubChem SID 135652636
PubChem CID 486830
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Search UniChem for chemical match using the InChIKey JOEHPBQVSCDCHE-BKGQOYFSSA-N
Search UniChem for chemicals with the same backbone JOEHPBQVSCDCHE