Products 3078291-78-5

CAS 3078291-78-5 is the registry number for DOTA-NI-FAPI-04. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

2-[4,7-bis(carboxymethyl)-10-[2-[[(2S)-1-[4-[3-[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-5-[3-(2-nitroimidazol-1-yl)propylamino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS 3078291-78-5) is a chemical compound with the molecular formula C51H69F2N15O14 and a molecular weight of 1154.2 g/mol. IUPAC name: 2-[4,7-bis(carboxymethyl)-10-[2-[[(2S)-1-[4-[3-[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-5-[3-(2-nitroimidazol-1-yl)propylamino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. InChIKey: NOHPIPXXXSPYDL-ASVWIKLXSA-N.

Identity
Molecular formulaC51H69F2N15O14
Molecular weight1154.2 g/mol
IUPAC name2-[4,7-bis(carboxymethyl)-10-[2-[[(2S)-1-[4-[3-[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-5-[3-(2-nitroimidazol-1-yl)propylamino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChIKeyNOHPIPXXXSPYDL-ASVWIKLXSA-N
SMILESC1CN(CCN1CCCOC2=CC3=C(C=CN=C3C=C2)C(=O)NCC(=O)N4CC(C[C@H]4C#N)(F)F)C(=O)[C@H](CCC(=O)NCCCN5C=CN=C5[N+](=O)[O-])NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O

Computed by PubChem (NCBI)

Synonyms: orb2944472