(3S)-3-azanyl-3-[1-[(2S)-6-azanyl-1-oxidanylidene-1-piperazin-1-yl-hexan-2-yl]-1,2,3-triazol-4-yl]propanamide

Systemtic Name: (3S)-3-azanyl-3-[1-[(2S)-6-azanyl-1-oxidanylidene-1-piperazin-1-yl-hexan-2-yl]-1,2,3-triazol-4-yl]propanamide Openeye Name: (3S)-3-amino-3-[1-[(1S)-5-amino-1-(piperazine-1-carbonyl)pentyl]triazol-4-yl]propanamide CAS Name: (3S)-3-amino-3-[1-[(2S)-6-amino-1-oxo-1-(1-piperazinyl)hexan-2-yl]-4-triazolyl]propanamide IUPAC Name: (3S)-3-amino-3-[1-[(2S)-6-amino-1-oxo-1-piperazin-1-ylhexan-2-yl]triazol-4-yl]propanamide Traditional Name: (3S)-3-amino-3-[1-[(1S)-5-amino-1-(piperazine-1-carbonyl)pentyl]triazol-4-yl]propionamide Formula: C15H28N8O2 MolecularWeight: 352.43522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N8O2/c16-4-2-1-3-13(15(25)22-7-5-19-6-8-22)23-10-12(20-21-23)11(17)9-14(18)24/h10-11,13,19H,1-9,16-17H2,(H2,18,24)/t11-,13-/m0/s1