Products 1309855-53-5
CAS 1309855-53-5 is the registry number for DOTA-GGNle-CycMSHhex. Offered by: MedChemExpress. Available pack sizes: Get quote.
2-[4-[2-[[2-[[2-[[(2S)-1-[[(3S,6S,9R,12S,15S,23S)-9-benzyl-23-carbamoyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricos-15-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS 1309855-53-5) is a chemical compound with the molecular formula C68H99N21O17 and a molecular weight of 1482.6 g/mol. IUPAC name: 2-[4-[2-[[2-[[2-[[(2S)-1-[[(3S,6S,9R,12S,15S,23S)-9-benzyl-23-carbamoyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricos-15-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. InChIKey: FSBLWVUKQJMPHW-SRFGJJNLSA-N.
| Molecular formula | C68H99N21O17 |
|---|---|
| Molecular weight | 1482.6 g/mol |
| IUPAC name | 2-[4-[2-[[2-[[2-[[(2S)-1-[[(3S,6S,9R,12S,15S,23S)-9-benzyl-23-carbamoyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricos-15-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| InChIKey | FSBLWVUKQJMPHW-SRFGJJNLSA-N |
| SMILES | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)N)NC(=O)CNC(=O)CNC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O |
Computed by PubChem (NCBI)
Synonyms:
DOTA-GGNle-CycMSHhex, orb3142738