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Details

Stereochemistry ABSOLUTE
Molecular Formula C93H109Cl2N11O32
Molecular Weight 1963.821
Optical Activity UNSPECIFIED
Defined Stereocenters 23 / 23
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIDEPLANIN

SMILES

CC(C)CCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC2=C3OC4=C(Cl)C=C(C=C4)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]7NC(=O)[C@H]8NC(=O)[C@@H](CC9=CC(Cl)=C(OC2=CC7=C3)C=C9)NC(=O)[C@H](N)C%10=CC(OC%11=CC(O)=CC8=C%11)=C(O)C=C%10)C%12=CC(=C(O)C=C%12)C%13=C(O[C@H]%14O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%14O)C=C(O)C=C%13[C@@H](NC6=O)C(=O)NCCCN(C)C

InChI

InChIKey=KVZUWEFUEGGULL-XEQFMUSQSA-N
InChI=1S/C93H109Cl2N11O32/c1-38(2)11-8-6-7-9-12-65(115)100-73-79(120)76(117)63(36-108)135-92(73)138-83-60-30-45-31-61(83)132-57-20-16-43(28-52(57)95)82(137-91-72(98-39(3)110)78(119)75(116)62(35-107)134-91)74-90(129)104-71(86(125)97-21-10-22-106(4)5)50-33-47(112)34-59(133-93-81(122)80(121)77(118)64(37-109)136-93)66(50)49-27-42(15-17-54(49)113)68(87(126)105-74)102-89(128)70(45)103-88(127)69-44-25-46(111)32-48(26-44)130-58-29-41(14-18-55(58)114)67(96)85(124)99-53(84(123)101-69)24-40-13-19-56(131-60)51(94)23-40/h13-20,23,25-34,38,53,62-64,67-82,91-93,107-109,111-114,116-122H,6-12,21-22,24,35-37,96H2,1-5H3,(H,97,125)(H,98,110)(H,99,124)(H,100,115)(H,101,123)(H,102,128)(H,103,127)(H,104,129)(H,105,126)/t53-,62-,63-,64-,67-,68-,69+,70-,71-,72-,73-,74+,75-,76-,77-,78-,79-,80+,81+,82-,91+,92+,93+/m1/s1

HIDE SMILES / InChI

Molecular Formula C93H109Cl2N11O32
Molecular Weight 1963.821
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 23 / 23
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Mideplanin (MDL 62873), a teicoplanin amide derivative, was studied as an antibacterial agent against Gram-positive bacteria. However, further, development appears to have been discontinued.

Originator

Approval Year

PubMed

Substance Class Chemical
Record UNII
Q0M2EMF621
Record Status Validated (UNII)
Record Version