Products 3077205-52-5

CAS 3077205-52-5 is the registry number for PSMA-MAL-5. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

(2S)-2-[[(1S)-1-carboxy-5-[[(2S)-2-[[4-[[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-naphthalen-1-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid (CAS 3077205-52-5) is a chemical compound with the molecular formula C65H94N12O20 and a molecular weight of 1363.5 g/mol. IUPAC name: (2S)-2-[[(1S)-1-carboxy-5-[[(2S)-2-[[4-[[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-naphthalen-1-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid. InChIKey: ZKXKNKKBLVNTOR-OMWLPDRBSA-N.

Identity
Molecular formulaC65H94N12O20
Molecular weight1363.5 g/mol
IUPAC name(2S)-2-[[(1S)-1-carboxy-5-[[(2S)-2-[[4-[[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-naphthalen-1-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
InChIKeyZKXKNKKBLVNTOR-OMWLPDRBSA-N
SMILESC1CC(CCC1CNC(=O)[C@H](CCCCNC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CCCCCN3C(=O)C=CC3=O)C(=O)N[C@@H](CC4=CC=CC5=CC=CC=C54)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: orb3173171