Products 3035557-60-6

CAS 3035557-60-6 appears in our catalog under these names: diABZI–V/C–DBCO, diABZI-V/C-DBCO, 98.09%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 5 mg, 10 mg, 1 mg.

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

[4-[[(2S)-2-[[(2S)-2-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[3-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-4-yl]oxypropyl]carbamate (CAS 3035557-60-6) is a chemical compound with the molecular formula C78H89N19O13 and a molecular weight of 1500.7 g/mol. IUPAC name: [4-[[(2S)-2-[[(2S)-2-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[3-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-4-yl]oxypropyl]carbamate. InChIKey: YQIYAYDEUDNEHB-UGNZTZBXSA-N.

Identity
Molecular formulaC78H89N19O13
Molecular weight1500.7 g/mol
IUPAC name[4-[[(2S)-2-[[(2S)-2-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[3-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-4-yl]oxypropyl]carbamate
InChIKeyYQIYAYDEUDNEHB-UGNZTZBXSA-N
SMILESCCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2C/C=C/CN4C5=C(C=C(C=C5OCCCNC(=O)OCC6=CC=C(C=C6)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCC(=O)N7CC8=CC=CC=C8C#CC9=CC=CC=C97)C(=O)N)N=C4NC(=O)C1=CC(=NN1CC)C)C(=CC(=C3)C(=O)N)OC

Computed by PubChem (NCBI)