(2R)-2-[[4-[[[(2R)-2-azaniumylpropanoyl]amino]methyl]cyclohexyl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: (2R)-2-[[4-[[[(2R)-2-azaniumylpropanoyl]amino]methyl]cyclohexyl]carbonylamino]-4-methyl-pentanoate Openeye Name: (2R)-2-[[4-[[[(2R)-2-azaniumylpropanoyl]amino]methyl]cyclohexanecarbonyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[[4-[[[(2R)-2-ammonio-1-oxopropyl]amino]methyl]cyclohexyl]-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2R)-2-[[4-[[[(2R)-2-azaniumylpropanoyl]amino]methyl]cyclohexanecarbonyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[4-[[[(2R)-2-ammoniopropanoyl]amino]methyl]cyclohexanecarbonyl]amino]-4-methyl-valerate Formula: C17H31N3O4 MolecularWeight: 341.44574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C1CCC(CC1)CNC(=O)C(C)[NH3+]

Isomeric SMILES

C[C@H](C(=O)NCC1CCC(CC1)C(=O)N[C@H](CC(C)C)C(=O)[O-])[NH3+]

InChI

InChI=1S/C17H31N3O4/c1-10(2)8-14(17(23)24)20-16(22)13-6-4-12(5-7-13)9-19-15(21)11(3)18/h10-14H,4-9,18H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)/t11-,12?,13?,14-/m1/s1