.ALPHA.-CONOTOXIN VC 1.1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C71H103N23O25S4
Molecular Weight	1806.977
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]5CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCCNC(N)=N)C(=O)N5

InChI

InChIKey=KJQOYUHYAZGPIZ-PIJHVLQJSA-N

InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-44(56(74)105)27-120-122-30-47-65(114)88-43(26-95)62(111)87-42(23-54(103)104)70(119)94-18-6-8-48(94)66(115)81-36(7-4-16-78-71(75)76)57(106)90-46(29-123-121-28-45(63(112)91-47)80-51(98)24-72)64(113)84-39(21-50(73)97)60(109)83-38(19-33-10-12-35(96)13-11-33)59(108)85-40(22-53(101)102)61(110)86-41(20-34-25-77-31-79-34)69(118)93-17-5-9-49(93)67(116)82-37(58(107)92-55)14-15-52(99)100/h10-13,25,31-32,36-49,55,95-96H,3-9,14-24,26-30,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,79)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,78)/t32-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C71H103N23O25S4
Molecular Weight	1806.977
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 16
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:27:26 GMT 2023` Edited by `admin` on `Sat Dec 16 10:27:26 GMT 2023`
Record UNII	5U5J1KR8NU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-CONOTOXIN VC 1.1

Common Name

English

ACV-1

Common Name

English

L-CYSTEINAMIDE, GLYCYL-L-CYSTEINYL-L-CYSTEINYL-L-SERYL-L-.ALPHA.-ASPARTYL-L-PROLYL-L-ARGINYL-L-CYSTEINYL-L-ASPARAGINYL-L-TYROSYL-L-.ALPHA.-ASPARTYL-L-HISTIDYL-L-PROLYL-L-.ALPHA.-GLUTAMYL-L-ISOLEUCYL-, CYCLIC (2->8),(3->16)-BIS(DISULFIDE)

Systematic Name

English

ALPHA-CONOTOXIN VC1.1

Common Name

English

GLY-CYS-CYS-SER-ASP-PRO-ARG-CYS-ASN-TYR-ASP-HIS-PRO-GLU-ILE-CYS-NH2 (2->8),(3->16)-BIS(DISULFIDE)

Common Name

English

Code System Code Type Description

PUBCHEM

76321093

Created by admin on Sat Dec 16 10:27:26 GMT 2023 , Edited by admin on Sat Dec 16 10:27:26 GMT 2023

PRIMARY

DRUG BANK

DB05724

Created by admin on Sat Dec 16 10:27:26 GMT 2023 , Edited by admin on Sat Dec 16 10:27:26 GMT 2023

PRIMARY

FDA UNII

5U5J1KR8NU

Created by admin on Sat Dec 16 10:27:26 GMT 2023 , Edited by admin on Sat Dec 16 10:27:26 GMT 2023

PRIMARY

CAS

467428-30-4

Created by admin on Sat Dec 16 10:27:26 GMT 2023 , Edited by admin on Sat Dec 16 10:27:26 GMT 2023

PRIMARY

Related Record Type Details


					5U5J1KR8NU

.ALPHA.-CONOTOXIN VC 1.1

ACTIVE MOIETY

Comments:

Class: Analgesic, Conotoxin; Mechanism of Action: Cholinergic receptor antagonist; Highest Development Phase: Discontinued for Neuropathic pain; Most Recent Events: 02 Oct 2006 Metabolic has initiated enrolment in a phase IIa trial for Neuropathic Sciatic Pain in Australia, 28 Sep 2006 Phase-II clinical trials in Neuropathic pain in Australia (SC), 25 May 2004 Preclinical trials in Pain in Australia (SC)