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

Systemtic Name: 5-(4-methylpiperazin-1-yl)-3-[2-[3-(naphthalen-2-ylcarbonylamino)-2-oxidanylidene-pyridin-1-yl]butanoylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-(4-methylpiperazin-1-yl)-3-[2-[3-(naphthalene-2-carbonylamino)-2-oxo-1-pyridyl]butanoylamino]-4-oxo-pentanoic acid CAS Name: 5-(4-methyl-1-piperazinyl)-3-[[2-[3-[[2-naphthalenyl(oxo)methyl]amino]-2-oxo-1-pyridinyl]-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: 5-(4-methylpiperazin-1-yl)-3-[2-[3-(naphthalene-2-carbonylamino)-2-oxopyridin-1-yl]butanoylamino]-4-oxopentanoic acid Traditional Name: 4-keto-3-[2-[2-keto-3-(2-naphthoylamino)-1-pyridyl]butanoylamino]-5-(4-methylpiperazino)valeric acid Formula: C30H35N5O6 MolecularWeight: 561.6288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)O)C(=O)CN1CCN(CC1)C)N2C=CC=C(C2=O)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC(CC(=O)O)C(=O)CN1CCN(CC1)C)N2C=CC=C(C2=O)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H35N5O6/c1-3-25(29(40)32-24(18-27(37)38)26(36)19-34-15-13-33(2)14-16-34)35-12-6-9-23(30(35)41)31-28(39)22-11-10-20-7-4-5-8-21(20)17-22/h4-12,17,24-25H,3,13-16,18-19H2,1-2H3,(H,31,39)(H,32,40)(H,37,38)