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Ccris 6495

Catalog Number: EVT-253066

CAS Number: 103222-11-3

Molecular Formula: C57H70N12O9S2

Molecular Weight: 1131.4 g/mol

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Product Introduction

Description

Ccris 6495 is a chemical compound that has gained significant attention in scientific research due to its potential therapeutic and environmental applications. This paper aims to provide a comprehensive overview of Ccris 6495, including its method of synthesis or extraction, chemical structure and biological activity, biological effects, applications, future perspectives, and challenges.

Properties

CAS Number

103222-11-3

Product Name

Ccris 6495

IUPAC Name

10-(4-aminobutyl)-N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-19-[(2-amino-3-phenylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

Molecular Formula

C57H70N12O9S2

Molecular Weight

1131.4 g/mol

InChI

InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)

InChI Key

SWXOGPJRIDTIRL-UHFFFAOYSA-N

SMILES

CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)N

Solubility

3.99e-03 g/L

Synonyms

Vapreotida; D-Phe-Cys-Tyr-D-Trp-Lys-Val-Cys-Trp-NH2; D-phenylalanyl-cysteinyl-tyrosyl-D-tryptophyl-lysyl-valyl-cysteinyl-tryptophanamide; Octastatin; RC 160; RC-160; vapreotide

Canonical SMILES

CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CC6=CC7=CC=CC=C7N6)C(=O)N

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N

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