LHRH, N-AC-2-NAL(1)-4-CL-PHE(2)-TRP(3)-D-HOMOCITRULLINE(6)-ALANH2(10)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C74H96ClN17O14
Molecular Weight	1483.113
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LHRH, N-AC-2-NAL(1)-4-CL-PHE(2)-TRP(3)-D-HOMOCITRULLINE(6)-ALANH2(10)-

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](CC4=CC=C(Cl)C=C4)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N7CCC[C@H]7C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=JJIHCDUWZMLLAF-JSNCGAEWSA-N

InChI=1S/C74H96ClN17O14/c1-41(2)33-56(65(98)86-55(18-11-31-80-73(77)78)72(105)92-32-12-19-62(92)71(104)83-42(3)63(76)96)87-64(97)54(17-9-10-30-81-74(79)106)85-67(100)58(36-45-23-28-51(95)29-24-45)89-70(103)61(40-93)91-69(102)60(38-49-39-82-53-16-8-7-15-52(49)53)90-68(101)59(35-44-21-26-50(75)27-22-44)88-66(99)57(84-43(4)94)37-46-20-25-47-13-5-6-14-48(47)34-46/h5-8,13-16,20-29,34,39,41-42,54-62,82,93,95H,9-12,17-19,30-33,35-38,40H2,1-4H3,(H2,76,96)(H,83,104)(H,84,94)(H,85,100)(H,86,98)(H,87,97)(H,88,99)(H,89,103)(H,90,101)(H,91,102)(H4,77,78,80)(H3,79,81,106)/t42-,54-,55+,56+,57-,58+,59-,60-,61+,62+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C74H96ClN17O14
Molecular Weight	1483.113
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:47:23 GMT 2023` Edited by `admin` on `Sat Dec 16 10:47:23 GMT 2023`
Record UNII	1M0MSO61EA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LHRH, N-AC-2-NAL(1)-4-CL-PHE(2)-TRP(3)-D-HOMOCITRULLINE(6)-ALANH2(10)-

Common Name

English

LHRH, N-AC-2-NAL(1)-4-CL-PHE(2)-TRP(3)-HCI(6)-ALANH2(10)-

Common Name

English

SB-29

Code

English

D-ALANINAMIDE, N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-D-TRYPTOPHYL-L-SERYL-L-TYROSYL-N6-(AMINOCARBONYL)-D-LYSYL-L-LEUCYL-L-ARGINYL-L-PROLYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

16157681

Created by admin on Sat Dec 16 10:47:23 GMT 2023 , Edited by admin on Sat Dec 16 10:47:23 GMT 2023

PRIMARY

CAS

120287-83-4

Created by admin on Sat Dec 16 10:47:23 GMT 2023 , Edited by admin on Sat Dec 16 10:47:23 GMT 2023

PRIMARY

EPA CompTox

DTXSID30152788

Created by admin on Sat Dec 16 10:47:23 GMT 2023 , Edited by admin on Sat Dec 16 10:47:23 GMT 2023

PRIMARY

FDA UNII

1M0MSO61EA

Created by admin on Sat Dec 16 10:47:23 GMT 2023 , Edited by admin on Sat Dec 16 10:47:23 GMT 2023

PRIMARY