(2S)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[[4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[4-(4-methylpiperazino)phenyl]carbamoylamino]butyric acid Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C

InChI

InChI=1S/C17H26N4O3/c1-12(2)15(16(22)23)19-17(24)18-13-4-6-14(7-5-13)21-10-8-20(3)9-11-21/h4-7,12,15H,8-11H2,1-3H3,(H,22,23)(H2,18,19,24)/t15-/m0/s1