3-[[4-ethanoyl-1-[2-(isoquinolin-1-ylcarbonylamino)propanoyl]piperazin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-ethanoyl-1-[2-(isoquinolin-1-ylcarbonylamino)propanoyl]piperazin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetyl-1-[2-(isoquinoline-1-carbonylamino)propanoyl]piperazine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[4-acetyl-1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-1-oxopropyl]-2-piperazinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetyl-1-[2-(isoquinoline-1-carbonylamino)propanoyl]piperazine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetyl-1-[2-(isoquinoline-1-carbonylamino)propanoyl]piperazine-2-carbonyl]amino]-4-keto-butyric acid Formula: C24H27N5O7 MolecularWeight: 497.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C=O)C(=O)C)NC(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C=O)C(=O)C)NC(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C24H27N5O7/c1-14(26-23(35)21-18-6-4-3-5-16(18)7-8-25-21)24(36)29-10-9-28(15(2)31)12-19(29)22(34)27-17(13-30)11-20(32)33/h3-8,13-14,17,19H,9-12H2,1-2H3,(H,26,35)(H,27,34)(H,32,33)