Talogreptide Mesaroxetan

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C86H140N22O18
Molecular Weight	1770.1684
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)NC56CNCCNCC(C)(CNCCNC5)CNCCNC6)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O

InChI

InChIKey=SPYWMRXLJVOTHY-RZLLKRBWSA-N

InChI=1S/C86H140N22O18/c1-55(2)39-65(70(109)44-75(114)101-66(78(88)116)40-56(3)4)105-83(121)69(43-61-46-95-54-99-61)103-76(115)47-98-84(122)77(57(5)6)107-79(117)58(7)100-81(119)68(42-60-45-97-63-18-13-12-17-62(60)63)106-80(118)64(21-22-71(87)110)104-82(120)67(41-59-15-10-9-11-16-59)102-73(112)23-31-123-33-35-125-37-38-126-36-34-124-32-30-96-72(111)19-14-20-74(113)108-86-51-92-27-24-89-48-85(8,49-90-25-28-93-52-86)50-91-26-29-94-53-86/h9-13,15-18,45-46,54-58,64-70,77,89-94,97,109H,14,19-44,47-53H2,1-8H3,(H2,87,110)(H2,88,116)(H,95,99)(H,96,111)(H,98,122)(H,100,119)(H,101,114)(H,102,112)(H,103,115)(H,104,120)(H,105,121)(H,106,118)(H,107,117)(H,108,113)/t58-,64-,65-,66-,67+,68-,69-,70-,77-,85?,86?/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Talogreptide Mesaroxetan

Official Name

English

SAR-BBN free base non-labeled

Preferred Name

English

N-{21-[(8-methyl-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosan-1-yl)amino]-17,21-dioxo-4,7,10,13-tetraoxa-16-azahenicosan-1-oyl}-D-phenylalanyl-L-glutaminyl-L-tryptophyl-L-alanyl-Lvalylglycyl-L-histidyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-L-leucina

Systematic Name

English

talogreptide mesaroxetan [INN]

Common Name

English

SAR-BBN (gastrin-releasing peptide receptor antagonist)

Common Name

English

SAR-BBN

Common Name

English

Code System Code Type Description

FDA UNII

ZUN64K4H2X