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

Systemtic Name: (4S)-4-[4-(1-azanyl-2-oxidanyl-ethyl)-1,2,3-triazol-1-yl]-5-oxidanylidene-5-piperazin-1-yl-pentanoic acid Openeye Name: (4S)-4-[4-(1-amino-2-hydroxy-ethyl)triazol-1-yl]-5-oxo-5-piperazin-1-yl-pentanoic acid CAS Name: (4S)-4-[4-(1-amino-2-hydroxyethyl)-1-triazolyl]-5-oxo-5-(1-piperazinyl)pentanoic acid IUPAC Name: (4S)-4-[4-(1-amino-2-hydroxyethyl)triazol-1-yl]-5-oxo-5-piperazin-1-ylpentanoic acid Traditional Name: (4S)-4-[4-(1-amino-2-hydroxy-ethyl)triazol-1-yl]-5-keto-5-piperazino-valeric acid Formula: C13H22N6O4 MolecularWeight: 326.35158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N6O4/c14-9(8-20)10-7-19(17-16-10)11(1-2-12(21)22)13(23)18-5-3-15-4-6-18/h7,9,11,15,20H,1-6,8,14H2,(H,21,22)/t9?,11-/m0/s1