Products 1801681-81-1

CAS 1801681-81-1 is the registry number for VH-N412. Offered by: MedChemExpress. Available pack sizes: Get quote.

VH-N412
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Structural formula: {0} (CAS {1})

(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[[(3S,6S,11R,17S,20S,23S,26S)-17,23-bis(3-carbamimidamidopropyl)-15-methyl-20-(2-methylpropyl)-3-(2-methylsulfanylethyl)-2,5,13,16,19,22,25-heptaoxo-6-(propanoylamino)-8,9-dithia-1,4,12,15,18,21,24-heptazabicyclo[24.4.0]triacontane-11-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid (CAS 1801681-81-1) is a chemical compound with the molecular formula C94H163N27O24S3 and a molecular weight of 2151.7 g/mol. IUPAC name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[[(3S,6S,11R,17S,20S,23S,26S)-17,23-bis(3-carbamimidamidopropyl)-15-methyl-20-(2-methylpropyl)-3-(2-methylsulfanylethyl)-2,5,13,16,19,22,25-heptaoxo-6-(propanoylamino)-8,9-dithia-1,4,12,15,18,21,24-heptazabicyclo[24.4.0]triacontane-11-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid. InChIKey: RLPLGCKMYNFENN-HDAWJGBLSA-N.

Identity
Molecular formulaC94H163N27O24S3
Molecular weight2151.7 g/mol
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[[(3S,6S,11R,17S,20S,23S,26S)-17,23-bis(3-carbamimidamidopropyl)-15-methyl-20-(2-methylpropyl)-3-(2-methylsulfanylethyl)-2,5,13,16,19,22,25-heptaoxo-6-(propanoylamino)-8,9-dithia-1,4,12,15,18,21,24-heptazabicyclo[24.4.0]triacontane-11-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
InChIKeyRLPLGCKMYNFENN-HDAWJGBLSA-N
SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H]3CSSC[C@H](C(=O)N[C@H](C(=O)N4CCCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N(CC(=O)N3)C)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)CCSC)NC(=O)CC

Computed by PubChem (NCBI)

Synonyms: orb2802030

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