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

Details

Stereochemistry ABSOLUTE
Molecular Formula C210H300N48O65S3
Molecular Weight 4633.107
Optical Activity UNSPECIFIED
Defined Stereocenters 33 / 33
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Noraramtide

SMILES

[H][C@]12CCC3=C(CC[C@@]1([H])[C@H]2COC(=O)N4CCC(CC4)C(=O)NCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]5CSSC[C@H](NC(=O)[C@H](CC6=CNC7=C6C=CC=C7)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC8=CNC=N8)NC(=O)[C@H](CC9=CNC%10=C9C=CC=C%10)NC(=O)[C@H](C)NC5=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)N(CCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H]%11CSCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCC)C(=O)N[C@@H](CC%12=CC=C(O)C=C%12)C(=O)N[C@@H](CC%13=CN=CN%13)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC%14=CC=C(C=C%14)C%15=CC=CC=C%15)C(=O)N[C@@H](CCCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N%11)N=N3

InChI

InChIKey=MPUUPFIIXNZYOV-MIGWSOMKSA-N
InChI=1S/C210H300N48O65S3/c1-16-18-21-36-136-186(288)241-149(86-119-41-45-127(260)46-42-119)192(294)243-153(90-126-97-214-109-225-126)196(298)245-154(91-173(275)276)183(285)223-102-169(269)252-176(113(9)10)202(304)247-146(83-111(5)6)190(292)242-148(85-118-39-43-121(44-40-118)120-30-23-20-24-31-120)191(293)236-137(37-22-19-17-2)187(289)246-156(93-175(279)280)198(300)249-157(104-324-107-170(270)226-115(13)179(281)234-138(185(287)235-136)38-29-65-216-209(211)212)184(286)215-66-70-317-72-74-319-76-78-321-80-81-322-79-77-320-75-73-318-71-69-258-160-56-48-131-130(47-49-135(160)255-256-258)132(131)103-323-210(316)257-67-63-122(64-68-257)181(283)221-100-168(268)232-143(206(310)311)52-59-163(263)231-142(205(308)309)51-58-162(262)228-139(54-61-171(271)272)188(290)237-144(207(312)313)53-60-164(264)230-141(204(306)307)50-57-161(261)219-98-165(265)220-99-166(266)233-155(92-174(277)278)197(299)250-158-105-325-326-106-159(201(303)254-178(117(15)259)208(314)315)251-194(296)151(88-124-95-218-134-35-28-26-33-129(124)134)248-203(305)177(114(11)12)253-199(301)147(84-112(7)8)240-189(291)140(55-62-172(273)274)229-167(267)101-222-182(284)145(82-110(3)4)239-195(297)152(89-125-96-213-108-224-125)244-193(295)150(238-180(282)116(14)227-200(158)302)87-123-94-217-133-34-27-25-32-128(123)133/h20,23-28,30-35,39-46,94-97,108-117,122,130-132,136-159,176-178,217-218,259-260H,16-19,21-22,29,36-38,47-93,98-107H2,1-15H3,(H,213,224)(H,214,225)(H,215,286)(H,219,261)(H,220,265)(H,221,283)(H,222,284)(H,223,285)(H,226,270)(H,227,302)(H,228,262)(H,229,267)(H,230,264)(H,231,263)(H,232,268)(H,233,266)(H,234,281)(H,235,287)(H,236,293)(H,237,290)(H,238,282)(H,239,297)(H,240,291)(H,241,288)(H,242,292)(H,243,294)(H,244,295)(H,245,298)(H,246,289)(H,247,304)(H,248,305)(H,249,300)(H,250,299)(H,251,296)(H,252,269)(H,253,301)(H,254,303)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H4,211,212,216)/t115-,116-,117+,130-,131+,132-,136-,137-,138-,139+,140-,141+,142+,143-,144+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,176-,177-,178-/m0/s1

HIDE SMILES / InChI

Molecular Formula C210H300N48O65S3
Molecular Weight 4633.107
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 33 / 33
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:03:52 GMT 2023
Edited
by admin
on Sat Dec 16 19:03:52 GMT 2023
Record UNII
7YQ5294J86
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Noraramtide
USAN  
Official Name English
N-(2-Mercaptoacetyl)-L-alanyl-L-arginyl-(2S)-2-aminoheptanoyl-L-tyrosyl-L-histidyl-L-α-aspartylglycyl-L-valyl-L-leucyl-3-[1,1'-biphenyl]-4-yl-L-alanyl-(2S)-2-aminoheptanoyl-L-α-aspartyl-L-cysteinyl-1-[[[1-(20-amino-3,6,9,12,15,18-hexaoxaeicos-1-yl)-1,4
Systematic Name English
NORARAMTIDE [USAN]
Common Name English
KP1237
Code English
BHV-1100
Code English
KP-1237
Code English
L-Threonine, N-(2-mercaptoacetyl)-L-alanyl-L-arginyl-(2S)-2-aminoheptanoyl-L-tyrosyl-L-histidyl-L-α-aspartylglycyl-L-valyl-L-leucyl-3-[1,1′-biphenyl]-4-yl-L-alanyl-(2S)-2-aminoheptanoyl-L-α-aspartyl-L-cysteinyl-1-[[[1-(20-amino-3,6,9,12,15,18-hexaoxa
Systematic Name English
Code System Code Type Description
FDA UNII
7YQ5294J86
Created by admin on Sat Dec 16 19:03:52 GMT 2023 , Edited by admin on Sat Dec 16 19:03:52 GMT 2023
PRIMARY
CAS
2580150-96-3
Created by admin on Sat Dec 16 19:03:52 GMT 2023 , Edited by admin on Sat Dec 16 19:03:52 GMT 2023
PRIMARY
USAN
KL-90
Created by admin on Sat Dec 16 19:03:52 GMT 2023 , Edited by admin on Sat Dec 16 19:03:52 GMT 2023
PRIMARY
INN
12865
Created by admin on Sat Dec 16 19:03:52 GMT 2023 , Edited by admin on Sat Dec 16 19:03:52 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY