IS4

cas: 3067986-23-3 — see every product listed under this CAS number, including other names

IS4 (CAS 3067986-23-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

(4R,7S,10S,13S,16S)-16-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-7,10-dibenzyl-13-[3-(diaminomethylideneamino)propyl]-6,9,12,15,20,22-hexaoxo-21-prop-2-ynyl-2,18-dithia-5,8,11,14,21-pentazabicyclo[17.3.0]docos-1(19)-ene-4-carboxylic acid (CAS 3067986-23-3) is a chemical compound with the molecular formula C48H62N14O11S2 and a molecular weight of 1075.2 g/mol. IUPAC name: (4R,7S,10S,13S,16S)-16-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-7,10-dibenzyl-13-[3-(diaminomethylideneamino)propyl]-6,9,12,15,20,22-hexaoxo-21-prop-2-ynyl-2,18-dithia-5,8,11,14,21-pentazabicyclo[17.3.0]docos-1(19)-ene-4-carboxylic acid. InChIKey: QIWNNQLPEDNVAZ-OTYGRGGYSA-N.

Identity
Molecular formulaC48H62N14O11S2
Molecular weight1075.2 g/mol
IUPAC name(4R,7S,10S,13S,16S)-16-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-7,10-dibenzyl-13-[3-(diaminomethylideneamino)propyl]-6,9,12,15,20,22-hexaoxo-21-prop-2-ynyl-2,18-dithia-5,8,11,14,21-pentazabicyclo[17.3.0]docos-1(19)-ene-4-carboxylic acid
InChIKeyQIWNNQLPEDNVAZ-OTYGRGGYSA-N
SMILESC[C@@H](C(=O)N[C@@H]1CSC2=C(C(=O)N(C2=O)CC#C)SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCN=C(N)N)CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C

Computed by PubChem (NCBI)

Synonyms: Peptide IS4, orb3142509

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