CODACTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C101H158N30O23S
Molecular Weight	2192.587
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC4=CNC5=C4C=CC=C5)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O

InChI

InChIKey=KXHVGPOWQPPVFU-QQLGXXNZSA-N

InChI=1S/C101H158N30O23S/c1-58(2)84(99(153)115-54-81(135)117-68(26-10-15-40-103)88(142)120-70(28-12-17-42-105)90(144)121-69(27-11-16-41-104)89(143)119-67(85(108)139)25-9-14-39-102)130-98(152)80-31-20-45-131(80)100(154)74(29-13-18-43-106)118-82(136)53-114-87(141)77(49-61-51-113-66-24-8-7-23-64(61)66)127-91(145)71(30-19-44-112-101(109)110)122-94(148)76(47-59-21-5-4-6-22-59)126-96(150)78(50-62-52-111-57-116-62)128-92(146)72(36-37-83(137)138)123-93(147)73(38-46-155-3)124-97(151)79(56-133)129-95(149)75(125-86(140)65(107)55-132)48-60-32-34-63(134)35-33-60/h4-8,21-24,32-35,51-52,57-58,65,67-80,84,113,132-134H,9-20,25-31,36-50,53-56,102-107H2,1-3H3,(H2,108,139)(H,111,116)(H,114,141)(H,115,153)(H,117,135)(H,118,136)(H,119,143)(H,120,142)(H,121,144)(H,122,148)(H,123,147)(H,124,151)(H,125,140)(H,126,150)(H,127,145)(H,128,146)(H,129,149)(H,130,152)(H,137,138)(H4,109,110,112)/t65-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,84+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C101H158N30O23S
Molecular Weight	2192.587
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 16
E/Z Centers	10
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/174989

Codactide is a synthetic octadecapeptide, an analog of adrenocorticotropin. When administered intravenously, codactide produced a prolonged adrenal stimulatory action, as measured by high 11-hydroxycorticosteroid level.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:48:55 GMT 2023` Edited by `admin` on `Fri Dec 15 18:48:55 GMT 2023`
Record UNII	5XZ27O27U1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CODACTIDE

Official Name

English

codactide [INN]

Common Name

English

BA-41795

Code

English

1-D-SERINE-17-L-LYSINE-18-L-LYSINAMIDE-A118-CORTICOTROPIN.

Systematic Name

English

Code System Code Type Description

EVMPD

SUB06790MIG