3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3-methyl-butanoyl]-3-methyl-pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3-methyl-butanoyl]-3-methyl-pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]-3-methyl-pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-3-methyl-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]-3-methyl-prolyl]amino]-4-keto-butyric acid Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1C(=O)NC(CC(=O)O)C=O)C(=O)C(C(C)C)NC(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC1CCN(C1C(=O)NC(CC(=O)O)C=O)C(=O)C(C(C)C)NC(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C25H30N4O6/c1-14(2)20(28-23(33)21-18-7-5-4-6-16(18)8-10-26-21)25(35)29-11-9-15(3)22(29)24(34)27-17(13-30)12-19(31)32/h4-8,10,13-15,17,20,22H,9,11-12H2,1-3H3,(H,27,34)(H,28,33)(H,31,32)