Products 3055338-52-5
CAS 3055338-52-5 is the registry number for BQ0413. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[[(1S)-5-[[(2S)-2-[[(2S)-2-[8-[[(2S)-2-acetamido-6-[[2-[[4-carboxy-2-[[4-carboxy-2-[[4-carboxy-2-[(2-sulfanylacetyl)amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]acetyl]amino]hexanoyl]amino]octanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid (CAS 3055338-52-5) is a chemical compound with the molecular formula C69H96N12O24S and a molecular weight of 1509.6 g/mol. IUPAC name: (2S)-2-[[(1S)-5-[[(2S)-2-[[(2S)-2-[8-[[(2S)-2-acetamido-6-[[2-[[4-carboxy-2-[[4-carboxy-2-[[4-carboxy-2-[(2-sulfanylacetyl)amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]acetyl]amino]hexanoyl]amino]octanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid. InChIKey: KBCIWAKKQGAZHG-YIQYHVOTSA-N.
| Molecular formula | C69H96N12O24S |
|---|---|
| Molecular weight | 1509.6 g/mol |
| IUPAC name | (2S)-2-[[(1S)-5-[[(2S)-2-[[(2S)-2-[8-[[(2S)-2-acetamido-6-[[2-[[4-carboxy-2-[[4-carboxy-2-[[4-carboxy-2-[(2-sulfanylacetyl)amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]acetyl]amino]hexanoyl]amino]octanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid |
| InChIKey | KBCIWAKKQGAZHG-YIQYHVOTSA-N |
| SMILES | CC(=O)N[C@@H](CCCCNC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CS)C(=O)NCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC3=CC=CC=C3C=C2)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O |
Computed by PubChem (NCBI)
Synonyms:
orb2944354