(2S,3S)-2-[4-(4-ethylpiperazin-1-yl)butanoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[4-(4-ethylpiperazin-1-yl)butanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[4-(4-ethylpiperazin-1-yl)butanoylamino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[4-(4-ethyl-1-piperazinyl)-1-oxobutyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[4-(4-ethylpiperazin-1-yl)butanoylamino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[4-(4-ethylpiperazino)butanoylamino]-3-methyl-valeric acid Formula: C16H31N3O3 MolecularWeight: 313.43564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCCN1CCN(CC1)CC

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)CCCN1CCN(CC1)CC

InChI

InChI=1S/C16H31N3O3/c1-4-13(3)15(16(21)22)17-14(20)7-6-8-19-11-9-18(5-2)10-12-19/h13,15H,4-12H2,1-3H3,(H,17,20)(H,21,22)/t13-,15-/m0/s1