ELATIPEPIMUT-S TRIFLUTATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C106H153N27O28S4.C2HF3O2
Molecular Weight	2495.796
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(F)(F)F.[H][C@](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=C(O)C=C5)C(=O)N[C@@H](CC(C)C)C(O)=O)([C@@H](C)O)C(=O)N[C@@H](CC6=CNC7=CC=CC=C67)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI

InChIKey=JYFFRLDBLOTTJY-CVAZOZPBSA-N

InChI=1S/C106H153N27O28S4.C2HF3O2/c1-53(2)41-78(104(158)159)129-94(148)71(43-58-24-28-61(135)29-25-58)125-99(153)80-22-15-37-132(80)102(156)55(5)117-93(147)74(47-83(110)138)126-100(154)81-23-16-38-133(81)103(157)77(45-57-17-10-9-11-18-57)128-92(146)70(35-40-163-8)120-89(143)67(21-14-36-115-106(113)114)118-87(141)64(107)51-164-165-52-65(108)88(142)122-72(44-59-26-30-62(136)31-27-59)98(152)131-86(56(6)134)101(155)127-73(46-60-50-116-66-20-13-12-19-63(60)66)95(149)124-75(48-84(111)139)96(150)119-68(32-33-82(109)137)90(144)121-69(34-39-162-7)91(145)123-76(49-85(112)140)97(151)130-79(105(160)161)42-54(3)4;3-2(4,5)1(6)7/h9-13,17-20,24-31,50,53-56,64-65,67-81,86,116,134-136H,14-16,21-23,32-49,51-52,107-108H2,1-8H3,(H2,109,137)(H2,110,138)(H2,111,139)(H2,112,140)(H,117,147)(H,118,141)(H,119,150)(H,120,143)(H,121,144)(H,122,142)(H,123,145)(H,124,149)(H,125,153)(H,126,154)(H,127,155)(H,128,146)(H,129,148)(H,130,151)(H,131,152)(H,158,159)(H,160,161)(H4,113,114,115);(H,6,7)/t55-,56+,64-,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,86-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C2HF3O2
Molecular Weight	114.0233
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C106H153N27O28S4
Molecular Weight	2381.773
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	8
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:19:19 UTC 2023` Edited by `admin` on `Sat Dec 16 14:19:19 UTC 2023`
Record UNII	IWO3BP2CQ9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OMBIPEPIMUT KILLER PEPTIDE COMPONENT

Preferred Name

English

ELATIPEPIMUT-S TRIFLUTATE

Common Name

English

DSR-124888 TRIFLUTATE

Code

English

ELATIPEPIMUT TRIFLUTATE

Common Name

English

L-LEUCINE, L-CYSTEINYL-L-ARGINYL-L-METHIONYL-L-PHENYLALANYL-L-PROLYL-L-ASPARAGINYL-L-ALANYL-L-PROLYLL-TYROSYL-, (1->1')-DISULFIDE WITH L-CYSTEINYL-L-TYROSYL-L-THREONYL-L-TRYPTOPHYL-L-ASPARAGINYL-LGLUTAMINYL-L-METHIONYL-L-ASPARAGINYL-L-IEUCINE, TRIFLUTATE

Common Name

English

NELATIMOTIDE TRIFLUTATE

Common Name

English

Code System Code Type Description

CAS

2049053-64-5

Created by admin on Sat Dec 16 14:19:19 UTC 2023 , Edited by admin on Sat Dec 16 14:19:19 UTC 2023

PRIMARY

FDA UNII

IWO3BP2CQ9

Created by admin on Sat Dec 16 14:19:19 UTC 2023 , Edited by admin on Sat Dec 16 14:19:19 UTC 2023

PRIMARY

PUBCHEM

137331847

Created by admin on Sat Dec 16 14:19:19 UTC 2023 , Edited by admin on Sat Dec 16 14:19:19 UTC 2023

PRIMARY

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