3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3-methyl-butanoyl]-5-phenyl-pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3-methyl-butanoyl]-5-phenyl-pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]-5-phenyl-pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-5-phenyl-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methylbutanoyl]-5-phenylpyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]-5-phenyl-prolyl]amino]-4-keto-butyric acid Formula: C30H32N4O6 MolecularWeight: 544.59828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C(CCC1C(=O)NC(CC(=O)O)C=O)C2=CC=CC=C2)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)C(C(=O)N1C(CCC1C(=O)NC(CC(=O)O)C=O)C2=CC=CC=C2)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C30H32N4O6/c1-18(2)26(33-29(39)27-22-11-7-6-8-19(22)14-15-31-27)30(40)34-23(20-9-4-3-5-10-20)12-13-24(34)28(38)32-21(17-35)16-25(36)37/h3-11,14-15,17-18,21,23-24,26H,12-13,16H2,1-2H3,(H,32,38)(H,33,39)(H,36,37)