(2S)-6-azanyl-2-[4-[(1R)-1-azanyl-2-oxidanyl-ethyl]-1,2,3-triazol-1-yl]-1-piperazin-1-yl-hexan-1-one

Systemtic Name: (2S)-6-azanyl-2-[4-[(1R)-1-azanyl-2-oxidanyl-ethyl]-1,2,3-triazol-1-yl]-1-piperazin-1-yl-hexan-1-one Openeye Name: (2S)-6-amino-2-[4-[(1R)-1-amino-2-hydroxy-ethyl]triazol-1-yl]-1-piperazin-1-yl-hexan-1-one CAS Name: (2S)-6-amino-2-[4-[(1R)-1-amino-2-hydroxyethyl]-1-triazolyl]-1-(1-piperazinyl)-1-hexanone IUPAC Name: (2S)-6-amino-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-1-piperazin-1-ylhexan-1-one Traditional Name: (2S)-6-amino-2-[4-[(1R)-1-amino-2-hydroxy-ethyl]triazol-1-yl]-1-piperazino-hexan-1-one Formula: C14H27N7O2 MolecularWeight: 325.40988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C(CCCCN)N2C=C(N=N2)C(CO)N

Isomeric SMILES

C1CN(CCN1)C(=O)[C@H](CCCCN)N2C=C(N=N2)[C@H](CO)N

InChI

InChI=1S/C14H27N7O2/c15-4-2-1-3-13(14(23)20-7-5-17-6-8-20)21-9-12(18-19-21)11(16)10-22/h9,11,13,17,22H,1-8,10,15-16H2/t11-,13-/m0/s1