Products 1631160-47-8

CAS 1631160-47-8 appears in our catalog under these names: Irucalantide, Irucalantide, 99.98%. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 1mg, 5mg, 5 mg, 1 mg, 10 mg.

Irucalantide
GLPBio, Chemat
  • size: 1mg, 5mg
  • Variants: 4
from 1930.98
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Irucalantide, 99.98%
MedChemExpress
  • size: 5 mg, 1 mg, 10 mg
  • Variants: 3
from 2279.46
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Structural formula: {0} (CAS {1})

2-[(7R,10S,13S,18S,21S,24S,27R,30S,33S,36S,39S,42S,45R)-7-acetamido-36-(3-amino-3-oxopropyl)-13-benzyl-24-(4-carbamimidamidobutyl)-45-carbamoyl-10-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-5-ylmethyl)-30-methyl-42-(2-methylpropyl)-8,11,14,19,22,25,28,34,37,40,43-undecaoxo-5,47,52-trithia-9,12,15,20,23,26,29,32,35,38,41,44-dodecazatetracyclo[25.23.3.13,49.015,18]tetrapentaconta-1,3(54),49-trien-39-yl]acetic acid (CAS 1631160-47-8) is a chemical compound with the molecular formula C76H106N20O18S3 and a molecular weight of 1684.0 g/mol. IUPAC name: 2-[(7R,10S,13S,18S,21S,24S,27R,30S,33S,36S,39S,42S,45R)-7-acetamido-36-(3-amino-3-oxopropyl)-13-benzyl-24-(4-carbamimidamidobutyl)-45-carbamoyl-10-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-5-ylmethyl)-30-methyl-42-(2-methylpropyl)-8,11,14,19,22,25,28,34,37,40,43-undecaoxo-5,47,52-trithia-9,12,15,20,23,26,29,32,35,38,41,44-dodecazatetracyclo[25.23.3.13,49.015,18]tetrapentaconta-1,3(54),49-trien-39-yl]acetic acid. InChIKey: LTTOZAFALSJSEY-GEIPQBTESA-N.

Identity
Molecular formulaC76H106N20O18S3
Molecular weight1684.0 g/mol
IUPAC name2-[(7R,10S,13S,18S,21S,24S,27R,30S,33S,36S,39S,42S,45R)-7-acetamido-36-(3-amino-3-oxopropyl)-13-benzyl-24-(4-carbamimidamidobutyl)-45-carbamoyl-10-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-5-ylmethyl)-30-methyl-42-(2-methylpropyl)-8,11,14,19,22,25,28,34,37,40,43-undecaoxo-5,47,52-trithia-9,12,15,20,23,26,29,32,35,38,41,44-dodecazatetracyclo[25.23.3.13,49.015,18]tetrapentaconta-1,3(54),49-trien-39-yl]acetic acid
InChIKeyLTTOZAFALSJSEY-GEIPQBTESA-N
SMILESC[C@H]1CN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCC2=CC3=CC(=C2)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSC3)C(=O)N1)CCCCNC(=N)N)CC5=CC=C(C=C5)O)CC6=CC=CC=C6)CO)NC(=O)C)C(=O)N)CC(C)C)CC(=O)O)CCC(=O)N)CC7=CN=CN7

Computed by PubChem (NCBI)

Synonyms: Irucalantide, irucalantide [INN], orb2277210