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

Details

Stereochemistry ABSOLUTE
Molecular Formula C189H312N58O53S4
Molecular Weight 4373.116
Optical Activity UNSPECIFIED
Defined Stereocenters 38 / 38
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANX-042

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC7=CNC=N7)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]8CSSC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]9CCCN9C(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CC%10=CC=CC=C%10)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N8)C(=O)N%11CCC[C@H]%11C(=O)N[C@@H](C(C)C)C(O)=O

InChI

InChIKey=IRRLKLXYIZBPPF-YTGPIHSWSA-N
InChI=1S/C189H312N58O53S4/c1-15-103(11)149-177(290)234-127(94-253)167(280)233-126(93-252)166(279)232-125(92-251)165(278)231-124(91-250)156(269)211-85-142(258)215-118(77-99(3)4)153(266)208-87-144(260)217-129(168(281)219-108(41-20-24-60-190)151(264)206-83-140(256)213-109(42-21-25-61-191)158(271)229-122(80-106-82-202-98-212-106)181(294)241-68-32-49-132(241)172(285)230-121(78-100(5)6)180(293)247-74-38-55-138(247)184(297)243-70-34-50-133(243)171(284)226-117(47-30-66-205-189(200)201)179(292)246-73-37-54-137(246)183(296)244-71-35-51-134(244)173(286)235-128(95-254)182(295)242-69-33-52-135(242)175(288)239-150(104(12)16-2)185(298)245-72-36-53-136(245)174(287)237-148(102(9)10)186(299)300)96-303-304-97-130(218-145(261)88-210-155(268)123(90-249)216-143(259)86-207-152(265)114(56-57-139(195)255)225-176(289)147(101(7)8)236-163(276)116(59-76-302-14)223-160(273)112(44-23-27-63-193)224-170(283)131-48-31-67-240(131)178(291)107(194)89-248)169(282)227-119(79-105-39-18-17-19-40-105)154(267)209-84-141(257)214-110(45-28-64-203-187(196)197)157(270)220-111(43-22-26-62-192)159(272)222-115(58-75-301-13)161(274)228-120(81-146(262)263)164(277)221-113(162(275)238-149)46-29-65-204-188(198)199/h17-19,39-40,82,98-104,107-138,147-150,248-254H,15-16,20-38,41-81,83-97,190-194H2,1-14H3,(H2,195,255)(H,202,212)(H,206,264)(H,207,265)(H,208,266)(H,209,267)(H,210,268)(H,211,269)(H,213,256)(H,214,257)(H,215,258)(H,216,259)(H,217,260)(H,218,261)(H,219,281)(H,220,270)(H,221,277)(H,222,272)(H,223,273)(H,224,283)(H,225,289)(H,226,284)(H,227,282)(H,228,274)(H,229,271)(H,230,285)(H,231,278)(H,232,279)(H,233,280)(H,234,290)(H,235,286)(H,236,276)(H,237,287)(H,238,275)(H,239,288)(H,262,263)(H,299,300)(H4,196,197,203)(H4,198,199,204)(H4,200,201,205)/t103-,104-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,147-,148-,149-,150-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ANX-042
Common Name English
ASBNP.1
Common Name English
L-VALINE, L-SERYL-L-PROLYL-L-LYSYL-L-METHIONYL-L-VALYL-L-GLUTAMINYLGLYCYL-L-SERYLGLYCYL-L-CYSTEINYL-L-PHENYLALANYLGLYCYL-L-ARGINYL-L-LYSYL-L-METHIONYL-L-.ALPHA.-ASPARTYL-L-ARGINYL-L-ISOLEUCYL-L-SERYL-L-SERYL-L-SERYL-L-SERYLGLYCYL-L-LEUCYLGLYCYL-L-CYSTEIN
Systematic Name English
BNP.1
Common Name English
ANX 042
Code English
Code System Code Type Description
PUBCHEM
145722011
Created by admin on Sat Dec 16 15:42:15 GMT 2023 , Edited by admin on Sat Dec 16 15:42:15 GMT 2023
PRIMARY
CAS
1434212-55-1
Created by admin on Sat Dec 16 15:42:15 GMT 2023 , Edited by admin on Sat Dec 16 15:42:15 GMT 2023
PRIMARY
FDA UNII
ZV0MCR055T
Created by admin on Sat Dec 16 15:42:15 GMT 2023 , Edited by admin on Sat Dec 16 15:42:15 GMT 2023
PRIMARY