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

Systemtic Name: 3-[[4-ethanoyl-1-[2-(isoquinolin-1-ylcarbonylamino)-3-methyl-butanoyl]piperazin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetyl-1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]piperazine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[4-acetyl-1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-piperazinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetyl-1-[2-(isoquinoline-1-carbonylamino)-3-methylbutanoyl]piperazine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetyl-1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]piperazine-2-carbonyl]amino]-4-keto-butyric acid Formula: C26H31N5O7 MolecularWeight: 525.55364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(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)C(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/C26H31N5O7/c1-15(2)22(29-25(37)23-19-7-5-4-6-17(19)8-9-27-23)26(38)31-11-10-30(16(3)33)13-20(31)24(36)28-18(14-32)12-21(34)35/h4-9,14-15,18,20,22H,10-13H2,1-3H3,(H,28,36)(H,29,37)(H,34,35)