Bone-1064

cas: 2481214-36-0 — see every product listed under this CAS number, including other names

Bone-1064 (CAS 2481214-36-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas2481214-36-0
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Structural formula: {0} (CAS {1})

(2S)-2-[[(1S)-5-[3-[4-[8-[4-[bis[3-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-3-oxopropyl]amino]phenyl]-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]-N-[3-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-3-oxopropyl]anilino]propanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid (CAS 2481214-36-0) is a chemical compound with the molecular formula C78H104N18O32S2 and a molecular weight of 1869.9 g/mol. IUPAC name: (2S)-2-[[(1S)-5-[3-[4-[8-[4-[bis[3-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-3-oxopropyl]amino]phenyl]-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]-N-[3-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-3-oxopropyl]anilino]propanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid. InChIKey: LDDVQPPVGKNVDL-XKIFMCPMSA-N.

Identity
Molecular formulaC78H104N18O32S2
Molecular weight1869.9 g/mol
IUPAC name(2S)-2-[[(1S)-5-[3-[4-[8-[4-[bis[3-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-3-oxopropyl]amino]phenyl]-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]-N-[3-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-3-oxopropyl]anilino]propanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid
InChIKeyLDDVQPPVGKNVDL-XKIFMCPMSA-N
SMILESC1=CC(=CC=C1C2=C3C(=C(C4=NSN=C24)C5=CC=C(C=C5)N(CCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)CCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)N=S=N3)N(CCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)CCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Bone-1064, orb2566782

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