Products 2941391-49-5

CAS 2941391-49-5 appears in our catalog under these names: DPI-4452, 95%, 95%, DPI-4452, 98.27%. Offered by: Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25 mg, 5 mg, 50 mg, 10 mg, 1 mg.

DPI-4452, 95%, 95%
Chemat
  • size: 1mg, 5mg, 10mg
  • Variants: 3
from 1120.40
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DPI-4452, 98.27%
MedChemExpress
  • size: 25 mg, 5 mg, 50 mg, 10 mg
  • Variants: 5
from 2037.97
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Structural formula: {0} (CAS {1})

3-[(5R,8S,14R,17S,20S,23S,26S,29S,32S,35R)-5-[[(2S)-5-amino-5-oxo-2-[[2-[4-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]piperazin-1-yl]acetyl]amino]pentanoyl]amino]-35-carbamoyl-17-(carboxymethyl)-26-[(1R)-1-hydroxyethyl]-32-(hydroxymethyl)-29-(1H-indol-3-ylmethyl)-23-(2-methylpropyl)-6,9,15,18,21,24,27,30,33-nonaoxo-20-[[3-(4-sulfamoylbutanoylamino)phenyl]methyl]-3,37-dithia-7,10,16,19,22,25,28,31,34-nonazatricyclo[37.3.1.010,14]tritetraconta-1(43),39,41-trien-8-yl]propanoic acid (CAS 2941391-49-5) is a chemical compound with the molecular formula C92H132N22O29S3 and a molecular weight of 2106.4 g/mol. IUPAC name: 3-[(5R,8S,14R,17S,20S,23S,26S,29S,32S,35R)-5-[[(2S)-5-amino-5-oxo-2-[[2-[4-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]piperazin-1-yl]acetyl]amino]pentanoyl]amino]-35-carbamoyl-17-(carboxymethyl)-26-[(1R)-1-hydroxyethyl]-32-(hydroxymethyl)-29-(1H-indol-3-ylmethyl)-23-(2-methylpropyl)-6,9,15,18,21,24,27,30,33-nonaoxo-20-[[3-(4-sulfamoylbutanoylamino)phenyl]methyl]-3,37-dithia-7,10,16,19,22,25,28,31,34-nonazatricyclo[37.3.1.010,14]tritetraconta-1(43),39,41-trien-8-yl]propanoic acid. InChIKey: IGTWTCVMZRKJAW-OMNWDWICSA-N.

Identity
Molecular formulaC92H132N22O29S3
Molecular weight2106.4 g/mol
IUPAC name3-[(5R,8S,14R,17S,20S,23S,26S,29S,32S,35R)-5-[[(2S)-5-amino-5-oxo-2-[[2-[4-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]piperazin-1-yl]acetyl]amino]pentanoyl]amino]-35-carbamoyl-17-(carboxymethyl)-26-[(1R)-1-hydroxyethyl]-32-(hydroxymethyl)-29-(1H-indol-3-ylmethyl)-23-(2-methylpropyl)-6,9,15,18,21,24,27,30,33-nonaoxo-20-[[3-(4-sulfamoylbutanoylamino)phenyl]methyl]-3,37-dithia-7,10,16,19,22,25,28,31,34-nonazatricyclo[37.3.1.010,14]tritetraconta-1(43),39,41-trien-8-yl]propanoic acid
InChIKeyIGTWTCVMZRKJAW-OMNWDWICSA-N
SMILESC[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCC2=CC=CC(=C2)CSC[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC4=CC(=CC=C4)NC(=O)CCCS(=O)(=O)N)CC(=O)O)CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)CN5CCN(CC5)C(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N)CO)CC7=CNC8=CC=CC=C87)O

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