Products 3001300-91-7

CAS 3001300-91-7 is the registry number for 2,2',2''-(10-(2-(4-((3-(((4-((2-((1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hexan-2-yl)-2-oxoethyl)carbamoyl)quinolin-6-yl)oxy)methyl)azetidin-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid, 95%, 95%. Offered by: Chemat. Available pack sizes: 50mg, 100mg.

2,2',2''-(10-(2-(4-((3-(((4-((2-((1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hexan-2-yl)-2-oxoethyl)carbamoyl)quinolin-6-yl)oxy)methyl)azetidin-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid, 95%, 95%
Chemat
  • size: 50mg, 100mg
  • Variants: 2
from 2128.40
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Structural formula: {0} (CAS {1})

2-[4,7-bis(carboxymethyl)-10-[2-[4-[[3-[[4-[[2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxymethyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS 3001300-91-7) is a chemical compound with the molecular formula C44H60N10O10 and a molecular weight of 889.0 g/mol. IUPAC name: 2-[4,7-bis(carboxymethyl)-10-[2-[4-[[3-[[4-[[2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxymethyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. InChIKey: JOGKPGQHLXFUDN-GQNZDDNNSA-N.

Identity
Molecular formulaC44H60N10O10
Molecular weight889.0 g/mol
IUPAC name2-[4,7-bis(carboxymethyl)-10-[2-[4-[[3-[[4-[[2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxymethyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChIKeyJOGKPGQHLXFUDN-GQNZDDNNSA-N
SMILESC1CN(CCC1CN2CC(C2)COC3=CC4=C(C=CN=C4C=C3)C(=O)NCC(=O)N5[C@@H](C[C@H]6[C@@H]5C6)C#N)C(=O)CN7CCN(CCN(CCN(CC7)CC(=O)O)CC(=O)O)CC(=O)O

Computed by PubChem (NCBI)