OncoACP3

cas: 3084147-81-6 — see every product listed under this CAS number, including other names

OncoACP3 (CAS 3084147-81-6) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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

2-[4-[2-[6-[[(2S,4S)-4-[4-[[4-[(benzylamino)-phosphonomethyl]phenoxy]methyl]triazol-1-yl]-1-[2-(dibenzylamino)acetyl]pyrrolidine-2-carbonyl]amino]hexylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS 3084147-81-6) is a chemical compound with the molecular formula C60H81N12O13P and a molecular weight of 1209.3 g/mol. IUPAC name: 2-[4-[2-[6-[[(2S,4S)-4-[4-[[4-[(benzylamino)-phosphonomethyl]phenoxy]methyl]triazol-1-yl]-1-[2-(dibenzylamino)acetyl]pyrrolidine-2-carbonyl]amino]hexylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. InChIKey: YPEWASXJDZUDKM-XAKGHLFPSA-N.

Identity
Molecular formulaC60H81N12O13P
Molecular weight1209.3 g/mol
IUPAC name2-[4-[2-[6-[[(2S,4S)-4-[4-[[4-[(benzylamino)-phosphonomethyl]phenoxy]methyl]triazol-1-yl]-1-[2-(dibenzylamino)acetyl]pyrrolidine-2-carbonyl]amino]hexylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChIKeyYPEWASXJDZUDKM-XAKGHLFPSA-N
SMILESC1CN(CCN(CCN(CCN1CC(=O)NCCCCCCNC(=O)[C@@H]2C[C@@H](CN2C(=O)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)N5C=C(N=N5)COC6=CC=C(C=C6)C(NCC7=CC=CC=C7)P(=O)(O)O)CC(=O)O)CC(=O)O)CC(=O)O

Computed by PubChem (NCBI)

Synonyms: orb3136061

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