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Details

Stereochemistry ABSOLUTE
Molecular Formula C68H88N14O13
Molecular Weight 1309.5123
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TYROCIDINE B

SMILES

CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CNC5=C4C=CC=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@@H](CC7=CC=CC=C7)NC1=O)C(C)C

InChI

InChIKey=PUVWPDQSNYAMEH-UQHIYWQBSA-N
InChI=1S/C68H88N14O13/c1-38(2)31-49-61(88)80-54(34-41-17-9-6-10-18-41)68(95)82-30-14-22-55(82)66(93)79-52(35-43-37-72-46-20-12-11-19-45(43)46)63(90)77-50(32-40-15-7-5-8-16-40)62(89)78-53(36-57(71)85)64(91)73-48(27-28-56(70)84)60(87)76-51(33-42-23-25-44(83)26-24-42)65(92)81-58(39(3)4)67(94)74-47(21-13-29-69)59(86)75-49/h5-12,15-20,23-26,37-39,47-55,58,72,83H,13-14,21-22,27-36,69H2,1-4H3,(H2,70,84)(H2,71,85)(H,73,91)(H,74,94)(H,75,86)(H,76,87)(H,77,90)(H,78,89)(H,79,93)(H,80,88)(H,81,92)/t47-,48-,49-,50+,51-,52-,53-,54+,55-,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula C68H88N14O13
Molecular Weight 1309.5123
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
SJF9708KDB
Record Status Validated (UNII)
Record Version