Products 2828433-41-4

CAS 2828433-41-4 is the registry number for (3S,7S,14R,23S,27S)-5,13,17,25-TETRAOXO-14-(2-OXO-1-(4,7,10-TRIS(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECAN-1-YL)-6,9,12,15-TETRAOXA-3-AZAOCTADECANAMIDO)-4,6,12,18,24,26-HEXAAZANONACOSANE-1,3,7,23,27,29-HEXACARBOXYLIC ACID, 97%. Offered by: Chemat, BLDpharm. Available pack sizes: 50mg, 100mg.

(3S,7S,14R,23S,27S)-5,13,17,25-TETRAOXO-14-(2-OXO-1-(4,7,10-TRIS(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECAN-1-YL)-6,9,12,15-TETRAOXA-3-AZAOCTADECANAMIDO)-4,6,12,18,24,26-HEXAAZANONACOSANE-1,3,7,23,27,29-HEXACARBOXYLIC ACID, 97%
Chemat, BLDpharm
  • size: 50mg, 100mg
  • Variants: 3
from 4296.29
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Structural formula: {0} (CAS {1})

(2S)-2-[[(1S)-1-carboxy-5-[[(4R)-5-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-5-oxo-4-[3-[2-[2-[2-[2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]pentanoyl]amino]pentyl]carbamoylamino]pentanedioic acid (CAS 2828433-41-4) is a chemical compound with the molecular formula C56H94N12O28 and a molecular weight of 1383.4 g/mol. IUPAC name: (2S)-2-[[(1S)-1-carboxy-5-[[(4R)-5-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-5-oxo-4-[3-[2-[2-[2-[2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]pentanoyl]amino]pentyl]carbamoylamino]pentanedioic acid. InChIKey: AUAZZCDDSSFAFP-ORLFITTNSA-N.

Identity
Molecular formulaC56H94N12O28
Molecular weight1383.4 g/mol
IUPAC name(2S)-2-[[(1S)-1-carboxy-5-[[(4R)-5-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-5-oxo-4-[3-[2-[2-[2-[2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]pentanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
InChIKeyAUAZZCDDSSFAFP-ORLFITTNSA-N
SMILESC1CN(CCN(CCN(CCN1CC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](CCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Computed by PubChem (NCBI)