Products 2748039-79-2
CAS 2748039-79-2 is the registry number for PSMA-Val-Cit-PAB-MMAE, 99.52%. Offered by: MedChemExpress. Available pack sizes: 5 mg, 10 mg, 1 mg.
(2S)-2-[[(1S)-5-[6-[[4-[[(2S)-1-[[(2S)-1-[3-[4-[4-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutyl]triazol-1-yl]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoyl]amino]hexanoyl-[(3-chlorophenyl)methyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid (CAS 2748039-79-2) is a chemical compound with the molecular formula C114H165ClN20O26 and a molecular weight of 2267.1 g/mol. IUPAC name: (2S)-2-[[(1S)-5-[6-[[4-[[(2S)-1-[[(2S)-1-[3-[4-[4-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutyl]triazol-1-yl]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoyl]amino]hexanoyl-[(3-chlorophenyl)methyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid. InChIKey: HQGAXUPTPWZFGA-OESYFJANSA-N.
| Molecular formula | C114H165ClN20O26 |
|---|---|
| Molecular weight | 2267.1 g/mol |
| IUPAC name | (2S)-2-[[(1S)-5-[6-[[4-[[(2S)-1-[[(2S)-1-[3-[4-[4-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutyl]triazol-1-yl]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoyl]amino]hexanoyl-[(3-chlorophenyl)methyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid |
| InChIKey | HQGAXUPTPWZFGA-OESYFJANSA-N |
| SMILES | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCC4=CN(N=N4)CCCNC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)CC7=CC(=CC=C7)Cl |
Computed by PubChem (NCBI)
Synonyms:
PSMA-Val-Cit-PAB-MMAE, orb1943403