5-(4-ethoxycarbonylpiperidin-1-yl)-3-[2-[3-(naphthalen-2-ylcarbonylamino)-2-oxidanylidene-pyridin-1-yl]butanoylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperidin-1-yl)-3-[2-[3-(naphthalen-2-ylcarbonylamino)-2-oxidanylidene-pyridin-1-yl]butanoylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethoxycarbonyl-1-piperidyl)-3-[2-[3-(naphthalene-2-carbonylamino)-2-oxo-1-pyridyl]butanoylamino]-4-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperidinyl)-3-[[2-[3-[[2-naphthalenyl(oxo)methyl]amino]-2-oxo-1-pyridinyl]-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperidin-1-yl)-3-[2-[3-(naphthalene-2-carbonylamino)-2-oxopyridin-1-yl]butanoylamino]-4-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperidino)-4-keto-3-[2-[2-keto-3-(2-naphthoylamino)-1-pyridyl]butanoylamino]valeric acid Formula: C33H38N4O8 MolecularWeight: 618.67682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)O)C(=O)CN1CCC(CC1)C(=O)OCC)N2C=CC=C(C2=O)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC(CC(=O)O)C(=O)CN1CCC(CC1)C(=O)OCC)N2C=CC=C(C2=O)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C33H38N4O8/c1-3-27(31(42)35-26(19-29(39)40)28(38)20-36-16-13-22(14-17-36)33(44)45-4-2)37-15-7-10-25(32(37)43)34-30(41)24-12-11-21-8-5-6-9-23(21)18-24/h5-12,15,18,22,26-27H,3-4,13-14,16-17,19-20H2,1-2H3,(H,34,41)(H,35,42)(H,39,40)