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

Details

Stereochemistry ABSOLUTE
Molecular Formula C88H140N22O22S8
Molecular Weight 2114.707
Optical Activity UNSPECIFIED
Defined Stereocenters 21 / 21
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NVB-302

SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H]3CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC4=CNC5=C4C=CC=C5)C(=O)N[C@@H](C(C)C)C(=O)N3)[C@H](C)SSC[C@H](NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)NCC(=O)N[C@H]6[C@H](C)SSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CSS[C@H]2C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC6=O)C(C)C)C(=O)NCCCCCCCN

InChI

InChIKey=MJFUYPWGLCNESS-GDXMLLAJSA-N
InChI=1S/C88H140N22O22S8/c1-15-45(10)68-85(129)97-54(25-26-65(114)115)77(121)102-60-39-136-139-48(13)70(110-82(126)61-37-134-133-36-52(90)73(117)100-58(35-111)74(118)93-33-63(112)96-57(80(124)107-67(44(8)9)83(127)103-61)31-50-32-92-53-24-20-19-23-51(50)53)87(131)99-56(30-42(4)5)79(123)109-71(88(132)108-68)49(14)140-137-40-62-81(125)95-46(11)72(116)101-59(75(119)91-28-22-18-16-17-21-27-89)38-135-138-47(12)69(105-64(113)34-94-76(60)120)86(130)98-55(29-41(2)3)78(122)106-66(43(6)7)84(128)104-62/h19-20,23-24,32,41-49,52,54-62,66-71,92,111H,15-18,21-22,25-31,33-40,89-90H2,1-14H3,(H,91,119)(H,93,118)(H,94,120)(H,95,125)(H,96,112)(H,97,129)(H,98,130)(H,99,131)(H,100,117)(H,101,116)(H,102,121)(H,103,127)(H,104,128)(H,105,113)(H,106,122)(H,107,124)(H,108,132)(H,109,123)(H,110,126)(H,114,115)/t45-,46-,47-,48-,49-,52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-,67-,68-,69-,70+,71+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NVB-302
Code English
NVB302
Preferred Name English
L-CYSTEINAMIDE, D-CYSTEINYL-L-SERYLGLYCYL-L-TRYPTOPHYL-L-VALYL-L-CYSTEINYL-(2S,3S)-2-AMINO-3-MERCAPTOBUTANOYL-L-LEUCYL-(2S,3S)-2-AMINO-3-MERCAPTOBUTANOYL-L-ISOLEUCYL-L-.ALPHA.-GLUTAMYL-L-CYSTEINYLGLYCYL-(2S,3S)-2-AMINO-3-MERCAPTOBUTANOYL-L-LEUCYL-L-VALYL
Systematic Name English
Code System Code Type Description
CAS
1234801-12-7
Created by admin on Tue Apr 01 16:40:24 GMT 2025 , Edited by admin on Tue Apr 01 16:40:24 GMT 2025
PRIMARY
PUBCHEM
171389983
Created by admin on Tue Apr 01 16:40:24 GMT 2025 , Edited by admin on Tue Apr 01 16:40:24 GMT 2025
PRIMARY
FDA UNII
WVE35GUF46
Created by admin on Tue Apr 01 16:40:24 GMT 2025 , Edited by admin on Tue Apr 01 16:40:24 GMT 2025
PRIMARY