(2S)-6-azanyl-2-[[3-(2-chloroethyl)-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[3-(2-chloroethyl)-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]carbonylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[3-(2-chloroethyl)-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[[3-(2-chloroethyl)-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[3-(2-chloroethyl)-4-keto-imidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl]amino]hexanoic acid Formula: C13H18ClN7O4 MolecularWeight: 371.77952

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C2N1C(=O)N(N=N2)CCCl)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1=NC(=C2N1C(=O)N(N=N2)CCCl)C(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C13H18ClN7O4/c14-4-6-21-13(25)20-7-16-9(10(20)18-19-21)11(22)17-8(12(23)24)3-1-2-5-15/h7-8H,1-6,15H2,(H,17,22)(H,23,24)/t8-/m0/s1