U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C110H161N31O27S2
Molecular Weight 2413.777
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Invopressin

SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCNC(=O)[C@@H](N)CCCCNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@@H](CC6=CC=C(OC)C=C6)NC(=O)CC7=CC=CC=C7)C(N)=O)C(=O)NCC(N)=O

InChI

InChIKey=GWRWHCLGMDWCIR-FQEGLUSVSA-N
InChI=1S/C110H161N31O27S2/c1-6-60(2)91-107(165)133-74(39-42-85(114)144)99(157)137-80(56-87(116)146)103(161)138-81(59-170-169-58-69(112)94(152)134-78(104(162)139-91)52-64-25-12-8-13-26-64)109(167)141-50-22-33-83(141)106(164)132-75(96(154)125-57-88(117)147)44-48-123-93(151)68(111)29-16-18-46-122-95(153)71(30-17-19-45-121-62(4)142)127-89(148)43-40-70(92(118)150)129-97(155)72(31-20-47-124-110(119)120)131-105(163)82-32-21-49-140(82)108(166)61(3)126-100(158)79(55-86(115)145)136-98(156)73(38-41-84(113)143)130-102(160)77(51-63-23-10-7-11-24-63)135-101(159)76(53-66-34-36-67(168-5)37-35-66)128-90(149)54-65-27-14-9-15-28-65/h7-15,23-28,34-37,60-61,68-83,91H,6,16-22,29-33,38-59,111-112H2,1-5H3,(H2,113,143)(H2,114,144)(H2,115,145)(H2,116,146)(H2,117,147)(H2,118,150)(H,121,142)(H,122,153)(H,123,151)(H,125,154)(H,126,158)(H,127,148)(H,128,149)(H,129,155)(H,130,160)(H,131,163)(H,132,164)(H,133,165)(H,134,152)(H,135,159)(H,136,156)(H,137,157)(H,138,161)(H,139,162)(H4,119,120,124)/t60-,61-,68-,69-,70-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,91-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Invopressin
INN  
Official Name English
[Phe^2,Ile^3,Dab(PhAc-D-Tyr(Me)-Phe-Gln-Asn-Ala-Pro-Arg-iGln-Lys(Ac)-Epsilon-Lys)^8]vasopressin
Common Name English
OCE-205
Code English
Glycinamide, L-cysteinyl-L-phenylalanyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-(2S)-4-[[N6-(N6-acetyl-L-lysyl)-L-lysyl]amino]-2-aminobutanoyl-, cyclic (1→6)-disulfide, (8′′′→1′′)-amide with O-methyl-N-(2-phenylacetyl)-D
Common Name English
invopressin [INN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 780020
Created by admin on Sat Dec 16 10:05:47 GMT 2023 , Edited by admin on Sat Dec 16 10:05:47 GMT 2023
Code System Code Type Description
FDA UNII
GT7UX45K55
Created by admin on Sat Dec 16 10:05:47 GMT 2023 , Edited by admin on Sat Dec 16 10:05:47 GMT 2023
PRIMARY
INN
12667
Created by admin on Sat Dec 16 10:05:47 GMT 2023 , Edited by admin on Sat Dec 16 10:05:47 GMT 2023
PRIMARY
CAS
1488411-60-4
Created by admin on Sat Dec 16 10:05:47 GMT 2023 , Edited by admin on Sat Dec 16 10:05:47 GMT 2023
PRIMARY
PUBCHEM
121313021
Created by admin on Sat Dec 16 10:05:47 GMT 2023 , Edited by admin on Sat Dec 16 10:05:47 GMT 2023
PRIMARY PUBCHEM