Diethylenetriaminepentaacetic acid alpha,omega-bis(biocytinamide)

Catalog Number

ACM118896983

Product Name

Diethylenetriaminepentaacetic acid alpha,omega-bis(biocytinamide)

Structure

CAS

118896-98-3

Category

Heterocyclic Organic Compound

Synonyms

118896-98-3, Diethylenetriaminepentaacetic acid alpha,omega-bis(biocytinamide), AC1MPB8E, D1534_ALDRICH, D1534_SIGMA, Diethylenetriaminepentaacetic acid |A,|O-bis(biocytinamide), 2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[1-hydroxy-1-oxo-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexan-2-yl]amino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid, 6,9,12-tris(carboxymethyl)-4,14-dioxo-2,16-bis(4-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}butyl)-3,6,9,12,15-pentaazaheptadecane-1,17-dioic acid (non-preferred name)

IUPAC Name

2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[1-carboxy-5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentyl]amino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydroth

Molecular Weight

1074.23

Molecular Formula

C₄₄H₇₁N₁₁O₁₆S₂

Canonical SMILES

C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)NC(=O)CN(CCN(CCN(CC(=O)NC(CCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)N2

InChI Key

LKGHKLSIBPOASY-UHFFFAOYSA-N

Boiling Point

1485.7ºC at 760 mmHg

Flash Point

852.3ºC

Density

1.35g/cm³

Exact Mass

1073.45000

Hazard Statements

Xn: Harmful;

H-Bond Acceptor

21

H-Bond Donor

13

Safety Description

36

MSDS

COA

Spec Sheet