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

Systemtic Name: 3-[[1-[(isoquinolin-1-ylcarbonylamino)-methyl-carbamoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[1-[(isoquinoline-1-carbonylamino)-methyl-carbamoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-pentanoic acid CAS Name: 3-[[[1-[[[[1-isoquinolinyl(oxo)methyl]amino]-methylamino]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 3-[[1-[(isoquinoline-1-carbonylamino)-methylcarbamoyl]pyrrolidine-2-carbonyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[1-[(isoquinoline-1-carbonylamino)-methyl-carbamoyl]prolyl]amino]-4-keto-valeric acid Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)N(C)NC(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)N(C)NC(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C22H25N5O6/c1-13(28)16(12-18(29)30)24-20(31)17-8-5-11-27(17)22(33)26(2)25-21(32)19-15-7-4-3-6-14(15)9-10-23-19/h3-4,6-7,9-10,16-17H,5,8,11-12H2,1-2H3,(H,24,31)(H,25,32)(H,29,30)