RINDOPEPIMUT PEPTIDE MODIFICATION

Details

Stereochemistry	EPIMERIC
Molecular Formula	C88H138N22O29S
Molecular Weight	2000.2369
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RINDOPEPIMUT PEPTIDE MODIFICATION

Structure Search

SMILES

CC(C)C[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CSC3CC(=O)N(CC4CCC(CC4)C(=O)NCCCC[C@H](N)C(O)=O)C3=O)C(O)=O

InChI

InChIKey=BFWNMIAINBOASB-HXDAAOOASA-N

InChI=1S/C88H138N22O29S/c1-43(2)32-53(92)74(123)99-56(25-27-67(116)117)77(126)102-57(26-28-68(118)119)78(127)101-55(16-9-12-30-90)76(125)100-54(15-8-11-29-89)75(124)96-39-65(114)98-60(35-64(93)113)80(129)103-58(33-47-19-23-51(112)24-20-47)82(131)107-70(44(3)4)83(132)108-71(45(5)6)84(133)109-72(46(7)111)85(134)105-61(36-69(120)121)81(130)104-59(34-50-38-94-42-97-50)79(128)106-62(88(138)139)41-140-63-37-66(115)110(86(63)135)40-48-17-21-49(22-18-48)73(122)95-31-13-10-14-52(91)87(136)137/h19-20,23-24,38,42-46,48-49,52-63,70-72,111-112H,8-18,21-22,25-37,39-41,89-92H2,1-7H3,(H2,93,113)(H,94,97)(H,95,122)(H,96,124)(H,98,114)(H,99,123)(H,100,125)(H,101,127)(H,102,126)(H,103,129)(H,104,130)(H,105,134)(H,106,128)(H,107,131)(H,108,132)(H,109,133)(H,116,117)(H,118,119)(H,120,121)(H,136,137)(H,138,139)/t46-,48?,49?,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63?,70+,71+,72+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C88H138N22O29S
Molecular Weight	2000.2369
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	15 / 16
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 00:11:12 GMT 2025` Edited by `admin` on `Wed Apr 02 00:11:12 GMT 2025`
Record UNII	XE2CRB6S1Q
Record Status	`FAILED`
Record Version

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Name

Type

Language

RINDOPEPIMUT PEPTIDE MODIFICATION

Common Name

English

LEU-GLU-GLU-LYS-LYS-GLY-ASN-TYR-VAL-VAL-THR-ASP-HIS-CYS-THIOETHER WITH N-((4-((3-MERCAPTO-2,5-DIOXO-1-PYRROLIDINYL)METHYL)CYCLOHEXYL)CARBONYL)-LYS

Preferred Name

English

N6-(4-((3-(((R)-2-((S)-2-((S)-2-((2S,3R)-2-((S)-2-((S)-2-((S)-2-((S)-4-AMINO-2-(2-((S)-6-AMINO-2-((S)-6-AMINO-2-((S)-2-((S)-2-((S)-2-AMINO-4-METHYLPENTANAMIDO)-4-CARBOXYBUTANAMIDO)-4-CARBOXYBUTANAMIDO)HEXANAMIDO)HEXANAMIDO)ACETAMIDO)-4-OXOBUTANAMIDO)-3-(

Systematic Name

English

Code System Code Type Description

PUBCHEM

139593451

Created by admin on Wed Apr 02 00:11:12 GMT 2025 , Edited by admin on Wed Apr 02 00:11:12 GMT 2025

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FDA UNII

XE2CRB6S1Q

Created by admin on Wed Apr 02 00:11:12 GMT 2025 , Edited by admin on Wed Apr 02 00:11:12 GMT 2025

PRIMARY