Home > Products > Screening Compounds P128015 > N-Acetyl-leu-met-asp-lys-glu-ala-val-tyr-phe-ala-his-leu-asp-ile-ile-trp

N-Acetyl-leu-met-asp-lys-glu-ala-val-tyr-phe-ala-his-leu-asp-ile-ile-trp

Catalog Number: EVT-242099

CAS Number: 143113-45-5

Molecular Formula: C96H140N20O25S

Molecular Weight: 1934.3 g/mol

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Product Introduction

Description

N-Acetyl-leu-met-asp-lys-glu-ala-val-tyr-phe-ala-his-leu-asp-ile-ile-trp, also known as Ac-SDKP, is a naturally occurring peptide that has been found to have various biological activities. It is a small peptide consisting of 14 amino acids and has a molecular weight of 1419.6 g/mol. Ac-SDKP has been studied for its potential therapeutic applications in various fields, including medical, environmental, and industrial research.

Properties

CAS Number

143113-45-5

Product Name

N-Acetyl-leu-met-asp-lys-glu-ala-val-tyr-phe-ala-his-leu-asp-ile-ile-trp

IUPAC Name

(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-6-amino-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid

Molecular Formula

C96H140N20O25S

Molecular Weight

1934.3 g/mol

InChI

InChI=1S/C93H136N20O23S/c1-15-51(9)77(91(133)110-72(93(135)136)40-58-44-96-62-27-21-20-26-61(58)62)113-92(134)78(52(10)16-2)112-89(131)71(43-75(119)120)108-85(127)66(37-49(5)6)105-87(129)69(41-59-45-95-47-98-59)104-79(121)54(12)100-83(125)67(38-56-24-18-17-19-25-56)106-86(128)68(39-57-29-31-60(115)32-30-57)109-90(132)76(50(7)8)111-80(122)53(11)99-73(116)46-97-81(123)63(28-22-23-34-94)102-88(130)70(42-74(117)118)107-82(124)64(33-35-137-14)103-84(126)65(36-48(3)4)101-55(13)114/h17-21,24-27,29-32,44-45,47-54,63-72,76-78,96,115H,15-16,22-23,28,33-43,46,94H2,1-14H3,(H,95,98)(H,97,123)(H,99,116)(H,100,125)(H,101,114)(H,102,130)(H,103,126)(H,104,121)(H,105,129)(H,106,128)(H,107,124)(H,108,127)(H,109,132)(H,110,133)(H,111,122)(H,112,131)(H,113,134)(H,117,118)(H,119,120)(H,135,136)/t51-,52-,53-,54-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,76-,77-,78-/m0/s1

InChI Key

AYJUXFCWNAVJLN-FHOIYVHLSA-N

SMILES

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CN=CN3)NC(=O)C(C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C

Synonyms

BQ 3020
BQ-3020
N-acetyl-Leu-Met-Asp-Lys-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu-Asp-Ile-Ile-Trp

Canonical SMILES

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CNC=N3)NC(=O)C(C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)C

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