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

Details

Stereochemistry ABSOLUTE
Molecular Formula C96H129N21O20
Molecular Weight 1897.1802
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEROFE

SMILES

[H][C@@](C)(O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](NC(=O)[C@@H](CC4=CNC5=C4C=CC=C5)NC(=O)[C@H](N)CC6=CNC7=C6C=CC=C7)[C@]([H])(C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC8=CNC9=C8C=CC=C9)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(O)=O

InChI

InChIKey=FNQVICDIQNFNHD-NOQIVBDNSA-N
InChI=1S/C96H129N21O20/c1-52(2)41-71(85(126)110-74(46-59-49-103-66-31-17-14-28-62(59)66)88(129)106-69(36-37-79(121)122)84(125)105-68(34-21-39-101-96(99)100)83(124)107-70(95(136)137)33-19-20-38-97)111-92(133)81(55(6)120)116-90(131)77(51-118)114-91(132)78-35-22-40-117(78)94(135)76(42-53(3)4)113-87(128)72(43-56-23-9-7-10-24-56)109-86(127)73(44-57-25-11-8-12-26-57)112-93(134)80(54(5)119)115-89(130)75(47-60-50-104-67-32-18-15-29-63(60)67)108-82(123)64(98)45-58-48-102-65-30-16-13-27-61(58)65/h7-18,23-32,48-50,52-55,64,68-78,80-81,102-104,118-120H,19-22,33-47,51,97-98H2,1-6H3,(H,105,125)(H,106,129)(H,107,124)(H,108,123)(H,109,127)(H,110,126)(H,111,133)(H,112,134)(H,113,128)(H,114,132)(H,115,130)(H,116,131)(H,121,122)(H,136,137)(H4,99,100,101)/t54-,55-,64+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,80+,81+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NEROFE
Common Name English
WWTFFLPSTLWERK, (ALL D)-
Systematic Name English
TUMOR-CELLS APOPTOSIS FACTOR
Common Name English
TCAPF
Common Name English
TRP-TRP-THR-PHE-PHE-LEU-PRO-SER-THR-LEU-TRP-GLU-ARG-LYS, (ALL D)-
Systematic Name English
TUMOR-CELLS APOPTOSIS FACTOR HORMONE-PEPTIDE
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 331210
Created by admin on Sat Dec 16 12:03:29 UTC 2023 , Edited by admin on Sat Dec 16 12:03:29 UTC 2023
Code System Code Type Description
FDA UNII
SR717JCM7M
Created by admin on Sat Dec 16 12:03:29 UTC 2023 , Edited by admin on Sat Dec 16 12:03:29 UTC 2023
PRIMARY
CAS
1311294-45-7
Created by admin on Sat Dec 16 12:03:29 UTC 2023 , Edited by admin on Sat Dec 16 12:03:29 UTC 2023
NO STRUCTURE GIVEN
PUBCHEM
145722610
Created by admin on Sat Dec 16 12:03:29 UTC 2023 , Edited by admin on Sat Dec 16 12:03:29 UTC 2023
PRIMARY
NCI_THESAURUS
C103193
Created by admin on Sat Dec 16 12:03:29 UTC 2023 , Edited by admin on Sat Dec 16 12:03:29 UTC 2023
PRIMARY NCIT
DRUG BANK
DB14786
Created by admin on Sat Dec 16 12:03:29 UTC 2023 , Edited by admin on Sat Dec 16 12:03:29 UTC 2023
PRIMARY
CAS
2120397-85-3
Created by admin on Sat Dec 16 12:03:29 UTC 2023 , Edited by admin on Sat Dec 16 12:03:29 UTC 2023
PRIMARY