methyl (2S)-4-methyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]pentanoate Traditional Name: (2S)-4-methyl-2-[[4-(4-propionylpiperazino)phenyl]carbamoylamino]valeric acid methyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O4/c1-5-19(26)25-12-10-24(11-13-25)17-8-6-16(7-9-17)22-21(28)23-18(14-15(2)3)20(27)29-4/h6-9,15,18H,5,10-14H2,1-4H3,(H2,22,23,28)/t18-/m0/s1