(4S)-4-[4-(1-azanyl-3-methyl-butyl)-1,2,3-triazol-1-yl]-5-oxidanylidene-5-piperazin-1-yl-pentanoic acid

Systemtic Name: (4S)-4-[4-(1-azanyl-3-methyl-butyl)-1,2,3-triazol-1-yl]-5-oxidanylidene-5-piperazin-1-yl-pentanoic acid Openeye Name: (4S)-4-[4-(1-amino-3-methyl-butyl)triazol-1-yl]-5-oxo-5-piperazin-1-yl-pentanoic acid CAS Name: (4S)-4-[4-(1-amino-3-methylbutyl)-1-triazolyl]-5-oxo-5-(1-piperazinyl)pentanoic acid IUPAC Name: (4S)-4-[4-(1-amino-3-methylbutyl)triazol-1-yl]-5-oxo-5-piperazin-1-ylpentanoic acid Traditional Name: (4S)-4-[4-(1-amino-3-methyl-butyl)triazol-1-yl]-5-keto-5-piperazino-valeric acid Formula: C16H28N6O3 MolecularWeight: 352.43192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CN(N=N1)C(CCC(=O)O)C(=O)N2CCNCC2)N

Isomeric SMILES

CC(C)CC(C1=CN(N=N1)[C@@H](CCC(=O)O)C(=O)N2CCNCC2)N

InChI

InChI=1S/C16H28N6O3/c1-11(2)9-12(17)13-10-22(20-19-13)14(3-4-15(23)24)16(25)21-7-5-18-6-8-21/h10-12,14,18H,3-9,17H2,1-2H3,(H,23,24)/t12?,14-/m0/s1