ACETYL DECAPEPTIDE-3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C68H95N19O17
Molecular Weight	1450.6017
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CNC4=CC=CC=C34)C(=O)N[C@@H](CC5=CC=C(O)C=C5)C(N)=O

InChI

InChIKey=CGPSWQBETUSORI-MTUNXJOQSA-N

InChI=1S/C68H95N19O17/c1-36(90)56(66(104)86-55(35-89)65(103)84-53(32-41-33-77-46-10-4-3-9-45(41)46)62(100)82-50(57(70)95)29-38-14-20-42(92)21-15-38)87-63(101)52(31-40-18-24-44(94)25-19-40)83-59(97)47(11-5-6-26-69)79-58(96)48(12-7-27-75-67(71)72)81-64(102)54(34-88)85-60(98)49(13-8-28-76-68(73)74)80-61(99)51(78-37(2)91)30-39-16-22-43(93)23-17-39/h3-4,9-10,14-25,33,36,47-56,77,88-90,92-94H,5-8,11-13,26-32,34-35,69H2,1-2H3,(H2,70,95)(H,78,91)(H,79,96)(H,80,99)(H,81,102)(H,82,100)(H,83,97)(H,84,103)(H,85,98)(H,86,104)(H,87,101)(H4,71,72,75)(H4,73,74,76)/t36-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C68H95N19O17
Molecular Weight	1450.6017
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:30:50 GMT 2025` Edited by `admin` on `Mon Mar 31 21:30:50 GMT 2025`
Record UNII	30510A08G7
Record Status	`FAILED`
Record Version

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Name

Type

Language

REJULINE

Preferred Name

English

ACETYL DECAPEPTIDE-3

Official Name

English

L-TYROSINAMIDE, N-ACETYL-L-TYROSYL-L-ARGINYL-L-SERYL-L-ARGINYL-L-LYSYL-L-TYROSYL-L-THREONYL-L-SERYL-L-TRYPTOPHYL-

Systematic Name

English

AC-TYR-ARG-SER-ARG-LYS-TYR-THR-SER-TRP-TYR-NH2

Systematic Name

English

Code System Code Type Description

DAILYMED

30510A08G7