methyl (2R)-4-methyl-2-[[(3S)-3-methyl-5-oxidanylidene-5-(4-phenylpiperazin-1-yl)pentanoyl]amino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[[(3S)-3-methyl-5-oxidanylidene-5-(4-phenylpiperazin-1-yl)pentanoyl]amino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[(3S)-3-methyl-5-oxo-5-(4-phenylpiperazin-1-yl)pentanoyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[(3S)-3-methyl-1,5-dioxo-5-(4-phenyl-1-piperazinyl)pentyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[(3S)-3-methyl-5-oxo-5-(4-phenylpiperazin-1-yl)pentanoyl]amino]pentanoate Traditional Name: (2R)-2-[[(3S)-5-keto-3-methyl-5-(4-phenylpiperazino)pentanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CC(C)CC(=O)N1CCN(CC1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](CC(=O)N[C@H](CC(C)C)C(=O)OC)CC(=O)N1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C23H35N3O4/c1-17(2)14-20(23(29)30-4)24-21(27)15-18(3)16-22(28)26-12-10-25(11-13-26)19-8-6-5-7-9-19/h5-9,17-18,20H,10-16H2,1-4H3,(H,24,27)/t18-,20+/m0/s1