1-Butyric-4-L-glutamic-1-carbaoxytocin,methyl ester

CAS

72289-65-7

Catalog Number

ACM72289657

Category

Other Products

Molecular Weight

990.130380 [g/mol]

Molecular Formula

C₄₅H₆₈N₁₀O₁₃S

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 276-573-8, 1-Butyric-4-L-glutamic-1-carbaoxytocin, methyl ester, 72289-65-7

IUPAC Name

3-[(6S,9S,15S)-6-(2-amino-2-oxoethyl)-12-butan-2-yl-15-[(4-hydroxyphenyl)methyl]-3-[2-[[1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicos-9-yl]propanoic a

Canonical SMILES

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSCCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)OC)CC(=O)N)CCC(=O)O

InChI Key

OKLMRBXDOZALFZ-TWJTVISESA-N

EC Number

276-573-8

H-Bond Acceptor

H-Bond Donor