2-[4-[(3-chloranyl-4-methyl-phenyl)-[3-[5-(4,6-dimethylpyrimidin-5-yl)carbonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamoyl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(3-chloranyl-4-methyl-phenyl)-[3-[5-(4,6-dimethylpyrimidin-5-yl)carbonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamoyl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[(3-chloro-4-methyl-phenyl)-[3-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamoyl]-1-piperidyl]acetic acid CAS Name: 2-[4-[[3-chloro-N-[3-[5-[(4,6-dimethyl-5-pyrimidinyl)-oxomethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-4-methylanilino]-oxomethyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[(3-chloro-4-methylphenyl)-[3-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamoyl]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[(3-chloro-4-methyl-phenyl)-[3-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamoyl]piperidino]acetic acid Formula: C31H41ClN6O4 MolecularWeight: 597.14804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCN2CC3CN(CC3C2)C(=O)C4=C(N=CN=C4C)C)C(=O)C5CCN(CC5)CC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCN2CC3CN(CC3C2)C(=O)C4=C(N=CN=C4C)C)C(=O)C5CCN(CC5)CC(=O)O)Cl

InChI

InChI=1S/C31H41ClN6O4/c1-20-5-6-26(13-27(20)32)38(30(41)23-7-11-35(12-8-23)18-28(39)40)10-4-9-36-14-24-16-37(17-25(24)15-36)31(42)29-21(2)33-19-34-22(29)3/h5-6,13,19,23-25H,4,7-12,14-18H2,1-3H3,(H,39,40)