3-methyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]pentanoic acid CAS Name: 3-methyl-2-[[oxo-[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]methyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]pentanoic acid Traditional Name: 3-methyl-2-[[4-(4-propionylpiperazino)phenyl]carbamoylamino]valeric acid Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O4/c1-4-14(3)18(19(26)27)22-20(28)21-15-6-8-16(9-7-15)23-10-12-24(13-11-23)17(25)5-2/h6-9,14,18H,4-5,10-13H2,1-3H3,(H,26,27)(H2,21,22,28)