2-azanylbutanedioic acid; [4-[(3R)-4-[(S)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone

Systemtic Name: 2-azanylbutanedioic acid; [4-[(3R)-4-[(S)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone Openeye Name: 2-aminobutanedioic acid; [4-[(3R)-4-[(S)-(1-cyclopropylsulfonyl-4-piperidyl)-(3-fluorophenyl)methyl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]-(4,6-dimethylpyrimidin-5-yl)methanone CAS Name: 2-aminobutanedioic acid; [4-[(3R)-4-[(S)-(1-cyclopropylsulfonyl-4-piperidinyl)-(3-fluorophenyl)methyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]-(4,6-dimethyl-5-pyrimidinyl)methanone IUPAC Name: 2-aminobutanedioic acid; [4-[(3R)-4-[(S)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone Traditional Name: 2-aminosuccinic acid; [4-[(3R)-4-[(S)-(1-cyclopropylsulfonyl-4-piperidyl)-(3-fluorophenyl)methyl]-3-methyl-piperazino]-4-methyl-piperidino]-(4,6-dimethylpyrimidin-5-yl)methanone Formula: C37H54FN7O7S MolecularWeight: 759.930763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C2CCN(CC2)S(=O)(=O)C3CC3)C4=CC(=CC=C4)F)C5(CCN(CC5)C(=O)C6=C(N=CN=C6C)C)C.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

C[C@@H]1CN(CCN1[C@@H](C2CCN(CC2)S(=O)(=O)C3CC3)C4=CC(=CC=C4)F)C5(CCN(CC5)C(=O)C6=C(N=CN=C6C)C)C.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C33H47FN6O3S.C4H7NO4/c1-23-21-38(33(4)12-16-37(17-13-33)32(41)30-24(2)35-22-36-25(30)3)18-19-40(23)31(27-6-5-7-28(34)20-27)26-10-14-39(15-11-26)44(42,43)29-8-9-29;5-2(4(8)9)1-3(6)7/h5-7,20,22-23,26,29,31H,8-19,21H2,1-4H3;2H,1,5H2,(H,6,7)(H,8,9)/t23-,31+;/m1./s1