Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C168H254N44O52 |
Molecular Weight | 3722.078 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 31 / 31 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](N)CC4=CNC=N4)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)CCN7C(=O)C=CC7=O)C(N)=O
InChI
InChIKey=AIWAEWBZDJARBJ-PXUUZXDZSA-N
InChI=1S/C168H254N44O52/c1-17-89(10)137(165(260)188-93(14)144(239)197-118(72-99-75-180-104-38-25-24-37-102(99)104)155(250)199-114(68-86(4)5)156(251)208-135(87(6)7)163(258)196-106(40-26-29-58-169)146(241)181-77-125(221)189-107(42-32-61-179-168(174)175)150(245)191-105(140(173)235)39-28-31-60-177-128(224)83-264-66-65-263-64-62-178-124(220)57-63-212-129(225)52-53-130(212)226)210-157(252)116(69-96-33-20-18-21-34-96)200-152(247)112(50-56-133(231)232)195-151(246)108(41-27-30-59-170)192-142(237)91(12)185-141(236)90(11)187-149(244)111(47-51-123(172)219)190-126(222)78-182-148(243)110(49-55-132(229)230)194-153(248)113(67-85(2)3)198-154(249)115(71-98-43-45-101(218)46-44-98)201-160(255)120(80-213)204-162(257)122(82-215)205-164(259)136(88(8)9)209-159(254)119(74-134(233)234)202-161(256)121(81-214)206-167(262)139(95(16)217)211-158(253)117(70-97-35-22-19-23-36-97)203-166(261)138(94(15)216)207-127(223)79-183-147(242)109(48-54-131(227)228)193-143(238)92(13)186-145(240)103(171)73-100-76-176-84-184-100/h18-25,33-38,43-46,52-53,75-76,84-95,103,105-122,135-139,180,213-218H,17,26-32,39-42,47-51,54-74,77-83,169-171H2,1-16H3,(H2,172,219)(H2,173,235)(H,176,184)(H,177,224)(H,178,220)(H,181,241)(H,182,243)(H,183,242)(H,185,236)(H,186,240)(H,187,244)(H,188,260)(H,189,221)(H,190,222)(H,191,245)(H,192,237)(H,193,238)(H,194,248)(H,195,246)(H,196,258)(H,197,239)(H,198,249)(H,199,250)(H,200,247)(H,201,255)(H,202,256)(H,203,261)(H,204,257)(H,205,259)(H,206,262)(H,207,223)(H,208,251)(H,209,254)(H,210,252)(H,211,253)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H4,174,175,179)/t89-,90-,91-,92+,93-,94+,95+,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,135-,136-,137-,138-,139-/m0/s1
Molecular Formula | C168H254N44O52 |
Molecular Weight | 3722.078 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 31 / 31 |
E/Z Centers | 26 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:38:20 GMT 2023
by
admin
on
Sat Dec 16 08:38:20 GMT 2023
|
Record UNII |
FZ7CO35X2S
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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FZ7CO35X2S
Created by
admin on Sat Dec 16 08:38:20 GMT 2023 , Edited by admin on Sat Dec 16 08:38:20 GMT 2023
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532951-64-7
Created by
admin on Sat Dec 16 08:38:20 GMT 2023 , Edited by admin on Sat Dec 16 08:38:20 GMT 2023
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72941834
Created by
admin on Sat Dec 16 08:38:20 GMT 2023 , Edited by admin on Sat Dec 16 08:38:20 GMT 2023
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PRIMARY |
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