tripotassium 2-[[1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-2-phosphoroso-propanoate

Systemtic Name: tripotassium 2-[[1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-2-phosphoroso-propanoate Openeye Name: tripotassium 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-2-phosphoroso-propanoate CAS Name: tripotassium 2-[[[1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]-2-phosphorosopropanoate IUPAC Name: tripotassium 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-2-phosphorosopropanoate Traditional Name: tripotassium 2-[(1-glycylprolyl)amino]-2-phosphoroso-propionate Formula: C30H45K3N9O15P3 MolecularWeight: 981.945783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])(NC(=O)C1CCCN1C(=O)CN)P=O.CC(C(=O)[O-])(NC(=O)C1CCCN1C(=O)CN)P=O.CC(C(=O)[O-])(NC(=O)C1CCCN1C(=O)CN)P=O.[K+].[K+].[K+]

Isomeric SMILES

CC(C(=O)[O-])(NC(=O)C1CCCN1C(=O)CN)P=O.CC(C(=O)[O-])(NC(=O)C1CCCN1C(=O)CN)P=O.CC(C(=O)[O-])(NC(=O)C1CCCN1C(=O)CN)P=O.[K+].[K+].[K+]

InChI

InChI=1S/3C10H16N3O5P.3K/c3*1-10(19-18,9(16)17)12-8(15)6-3-2-4-13(6)7(14)5-11;;;/h3*6H,2-5,11H2,1H3,(H,12,15)(H,16,17);;;/q;;;3*+1/p-3