COTADUTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C167H252N42O55
Molecular Weight	3728.0362
Optical Activity	UNSPECIFIED
Defined Stereocenters	30 / 30
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC2=CNC=N2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](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](CCC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(O)=O)C(O)=O

InChI

InChIKey=YEKUUBPJRPXMBM-PTCFZACGSA-N

InChI=1S/C167H252N42O55/c1-13-14-15-16-17-18-19-20-21-22-23-24-31-47-125(219)186-109(165(263)264)53-58-124(218)175-62-35-34-44-102(189-153(251)116(72-131(228)229)201-161(259)122(83-213)206-164(262)137(92(12)215)209-157(255)114(68-94-40-29-26-30-41-94)202-163(261)136(91(11)214)207-127(221)78-181-142(240)105(52-57-123(169)217)190-158(256)119(80-210)203-141(239)100(168)71-97-76-174-84-182-97)146(244)204-120(81-211)159(257)193-108(56-61-130(226)227)148(246)197-112(69-95-48-50-98(216)51-49-95)151(249)195-111(66-86(4)5)150(248)200-118(74-133(232)233)155(253)205-121(82-212)160(258)192-107(55-60-129(224)225)147(245)188-103(45-36-63-176-166(170)171)143(241)184-89(9)139(237)187-104(46-37-64-177-167(172)173)145(243)199-117(73-132(230)231)154(252)198-113(67-93-38-27-25-28-39-93)156(254)208-135(87(6)7)162(260)185-90(10)140(238)194-115(70-96-75-178-101-43-33-32-42-99(96)101)152(250)196-110(65-85(2)3)149(247)191-106(54-59-128(222)223)144(242)183-88(8)138(236)180-77-126(220)179-79-134(234)235/h25-30,32-33,38-43,48-51,75-76,84-92,100,102-122,135-137,178,210-216H,13-24,31,34-37,44-47,52-74,77-83,168H2,1-12H3,(H2,169,217)(H,174,182)(H,175,218)(H,179,220)(H,180,236)(H,181,240)(H,183,242)(H,184,241)(H,185,260)(H,186,219)(H,187,237)(H,188,245)(H,189,251)(H,190,256)(H,191,247)(H,192,258)(H,193,257)(H,194,238)(H,195,249)(H,196,250)(H,197,246)(H,198,252)(H,199,243)(H,200,248)(H,201,259)(H,202,261)(H,203,239)(H,204,244)(H,205,253)(H,206,262)(H,207,221)(H,208,254)(H,209,255)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,263,264)(H4,170,171,176)(H4,172,173,177)/t88-,89-,90-,91+,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,135-,136-,137-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C167H252N42O55
Molecular Weight	3728.0362
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	30 / 30
E/Z Centers	25
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:12:33 GMT 2023` Edited by `admin` on `Sat Dec 16 17:12:33 GMT 2023`
Record UNII	QL6A9B13HW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COTADUTIDE

Official Name

English

MEDI 0382 [WHO-DD]

Common Name

English

COTADUTIDE [USAN]

Common Name

English

DES-PHOSPHONO(K10,E12,E17,R20,A24,E27,A28)GLUCAGONYL-GG: L-HISTIDYL-L-SERYL-L-GLUTAMINYLGLYCYL-L-THREONYL-L-PHENYLALANYL-L-THREONYL-L-SERYL-L-.ALPHA.-ASPARTYL-N6-(N-HEXADECANOYL-L-.GAMMA.-GLUTAMYL)-L-LYSYL-L-SERYL-L-.ALPHA.-GLUTAMYL-L-TYROSYL-L-LEUCYL-L-

Systematic Name

English

MEDI0382

Code

English

cotadutide [INN]

Common Name

English

GLYCINE, L-HISTIDYL-L-SERYL-L-GLUTAMINYLGLYCYL-L-THREONYL-L-PHENYLALANYL-L-THREONYL-L-SERYL-L-.ALPHA.-ASPARTYL-N6-(N-(1-OXOTETRADECYL)-L-.GAMMA.-GLUTAMYL)-L-LYSYL-L-SERYL-L-.ALPHA.-GLUTAMYL-L-TYROSYL-L-LEUCYL-L-.ALPHA.-ASPARTYL-L-SERYL-L-.ALPHA.-GLUTAMYL

Systematic Name

English

MEDI-0382

Code

English

HIS-SER-GLN-GLY-THR-PHE-THR-SER-ASP-LYS-(.GAMMA.-GLUPALMITOYL)-SER-GLU-TYR-LEU-ASP-SER-GLU-ARG-ALA-ARG-ASP- PHE-VAL-ALA-TRP-LEU-GLU-ALA-GLY-GLY

Common Name

English

Code System Code Type Description

INN

10888