2-[2-[(4-benzamidophenyl)methyl]-4-[[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-methyl-amino]pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-benzamidophenyl)methyl]-4-[[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-methyl-amino]pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[(4-benzamidophenyl)methyl]-4-[[2-(cyclopentylamino)-2-oxo-ethyl]-methyl-amino]pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[(4-benzamidophenyl)methyl]-4-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]-5-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[(4-benzamidophenyl)methyl]-4-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-(4-benzamidobenzyl)-4-[[2-(cyclopentylamino)-2-keto-ethyl]-methyl-amino]pyrimidin-5-yl]acetic acid Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CCCC1)C2=NC(=NC=C2CC(=O)O)CC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CC(=O)NC1CCCC1)C2=NC(=NC=C2CC(=O)O)CC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H31N5O4/c1-33(18-25(34)30-22-9-5-6-10-22)27-21(16-26(35)36)17-29-24(32-27)15-19-11-13-23(14-12-19)31-28(37)20-7-3-2-4-8-20/h2-4,7-8,11-14,17,22H,5-6,9-10,15-16,18H2,1H3,(H,30,34)(H,31,37)(H,35,36)