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C-telopeptide acetate

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C-telopeptide, also called as CTX, is a cross-linked peptide of type I collagen. C-telopeptide is released during bone resorption and has been correlated with bone mineral density (BMD).

Category

Others

Catalog number

BAT-016264

Molecular Formula

C36H60N14O15

Molecular Weight

928.95

Specification

IUPAC Name

acetic acid;(4S)-4-amino-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[2-[[2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Synonyms

CTX acetate

Related CAS

162929-64-8 (free base)

Sequence

EKAHDGGR

InChI

InChI=1S/C34H56N14O13.C2H4O2/c1-17(44-31(58)20(5-2-3-9-35)46-29(56)19(36)7-8-26(51)52)28(55)47-22(11-18-13-39-16-43-18)32(59)48-23(12-27(53)54)30(57)42-14-24(49)41-15-25(50)45-21(33(60)61)6-4-10-40-34(37)38;1-2(3)4/h13,16-17,19-23H,2-12,14-15,35-36H2,1H3,(H,39,43)(H,41,49)(H,42,57)(H,44,58)(H,45,50)(H,46,56)(H,47,55)(H,48,59)(H,51,52)(H,53,54)(H,60,61)(H4,37,38,40);1H3,(H,3,4)/t17-,19-,20-,21-,22-,23-;/m0./s

InChI Key

HGZKVEFLUHWDSH-UVEBYLRCSA-N

Canonical SMILES

CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N.CC(=O)O