DIRUCOTIDE ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C92H141N25O26.4C2H4O2
Molecular Weight	2253.4637
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

InChI

InChIKey=AGWHZYPHHINWPT-WPDHDECSSA-N

InChI=1S/C92H141N25O26.4C2H4O2/c1-11-48(8)72(88(139)112-71(47(6)7)87(138)114-73(49(9)118)90(141)117-36-22-29-63(117)83(134)104-56(28-20-34-100-92(97)98)78(129)115-74(50(10)119)91(142)143)113-82(133)61(41-65(95)120)107-76(127)55(27-18-19-33-93)103-79(130)58(37-51-23-14-12-15-24-51)105-80(131)59(38-52-25-16-13-17-26-52)106-81(132)60(39-53-43-99-44-101-53)108-85(136)69(45(2)3)111-86(137)70(46(4)5)110-84(135)64-30-21-35-116(64)89(140)62(42-66(96)121)109-77(128)57(31-32-67(122)123)102-75(126)54(94)40-68(124)125;4*1-2(3)4/h12-17,23-26,43-50,54-64,69-74,118-119H,11,18-22,27-42,93-94H2,1-10H3,(H2,95,120)(H2,96,121)(H,99,101)(H,102,126)(H,103,130)(H,104,134)(H,105,131)(H,106,132)(H,107,127)(H,108,136)(H,109,128)(H,110,135)(H,111,137)(H,112,139)(H,113,133)(H,114,138)(H,115,129)(H,122,123)(H,124,125)(H,142,143)(H4,97,98,100);4*1H3,(H,3,4)/t48-,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula	C92H141N25O26
Molecular Weight	2013.2558
Charge	0
Count

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

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:40:03 UTC 2023` Edited by `admin` on `Fri Dec 15 17:40:03 UTC 2023`
Record UNII	48G1L28581
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRUCOTIDE ACETATE

Official Name

English

SF328

Code

English

L-THREONINE, L-.ALPHA.-ASPARTYL-L.ALPHA.-GLUTAMYL-L-ASPARAGINYL-L-PROLYL-L-VALYL-L-VALYL-L-HISTIDYL-L- PHENYLALANYL-L-PHENYLALANYL-L-LYSYL-L-ASPARAGINYL-L-ISOLEUCYL-L-VALYL-L-THREONYL-L-PROLYL- L-ARGINYL-, TETRAACETATE (SALT)

Common Name

English

Dirucotide acetate [WHO-DD]

Common Name

English

DIRUCOTIDE ACETATE [USAN]

Common Name

English

HUMAN MYELIN BASIC PROTEIN-(216-232)-PEPTIDE (MAJOR 18.5 KDA ISOFORM-(82-98)- PEPTIDE) TETRAACETATE (SALT)

Common Name

English

SF-328

Code

English

Code System Code Type Description

CAS

781666-30-6