Products 227803-63-6

CAS 227803-63-6 appears in our catalog under these names: Aclerastide, Aclerastide, 99.62%. Offered by: Creative Peptides, TRC, GLPBio, Biosynth, MedChemExpress. Available pack sizes: on request, 100mg, 10mg, 5mg, 25mg, 10 mg, 5 mg.

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

(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid (CAS 227803-63-6) is a chemical compound with the molecular formula C42H64N12O11 and a molecular weight of 913.0 g/mol. IUPAC name: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid. InChIKey: RUBMHAHMIJSMHA-LBWFYSSPSA-N.

Identity
Molecular formulaC42H64N12O11
Molecular weight913.0 g/mol
IUPAC name(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
InChIKeyRUBMHAHMIJSMHA-LBWFYSSPSA-N
SMILESCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N

Computed by PubChem (NCBI)