Caerulein(desulfated)

CAS

20994-83-6

Catalog Number

ACM20994836

Category

Other Products

Molecular Weight

1272.34

Molecular Formula

C₅₈H₇₃N₁₃O₁₈S

MSDS COA Spec Sheet

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Specification

Synonyms

PYR-GLN-ASP-TYR-THR-GLY-TRP-MET-ASP-PHE-NH2;GLP-GLN-ASP-TYR-THR-GLY-TRP-MET-ASP-PHE-NH2;CAERULEIN (DESULFATED);CAERULEIN NON-SULFATED;Caerulein, 4-desulfo-;4-Desulfocaerulein;5-Oxo-L-Pro-L-Gln-L-Asp-L-Tyr-L-Thr-Gly-L-Trp-L-Met-L-Asp-L-Phe-NH2;pGlu-Gln-αA

IUPAC Name

(3S)-3-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-y

Canonical SMILES

CC(C(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C5CCC(=O)N5)O

InChI Key

KVLTWEUIUPCNAM-HYAOXDFASA-N

EC Number

244-142-3

Exact Mass

1271.49000

H-Bond Acceptor

H-Bond Donor