3-azanyl-5-[5-(cyclopropylamino)-1-[2-[[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyrazin-2-yl]benzoic acid

Systemtic Name: 3-azanyl-5-[5-(cyclopropylamino)-1-[2-[[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyrazin-2-yl]benzoic acid Openeye Name: 3-amino-5-[5-(cyclopropylamino)-1-[2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-oxo-ethyl]-6-oxo-pyrazin-2-yl]benzoic acid CAS Name: 3-amino-5-[1-[2-[[4-[(Z)-amino(hydroxyimino)methyl]phenyl]methylamino]-2-oxoethyl]-5-(cyclopropylamino)-6-oxo-2-pyrazinyl]benzoic acid IUPAC Name: 3-amino-5-[5-(cyclopropylamino)-1-[2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-oxoethyl]-6-oxopyrazin-2-yl]benzoic acid Traditional Name: 3-amino-5-[1-[2-[[4-[(Z)-aminocarbohydroximoyl]benzyl]amino]-2-keto-ethyl]-5-(cyclopropylamino)-6-keto-pyrazin-2-yl]benzoic acid Formula: C24H25N7O5 MolecularWeight: 491.4992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=NO)N)C4=CC(=CC(=C4)N)C(=O)O

Isomeric SMILES

C1CC1NC2=NC=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)/C(=N/O)/N)C4=CC(=CC(=C4)N)C(=O)O

InChI

InChI=1S/C24H25N7O5/c25-17-8-15(7-16(9-17)24(34)35)19-11-28-22(29-18-5-6-18)23(33)31(19)12-20(32)27-10-13-1-3-14(4-2-13)21(26)30-36/h1-4,7-9,11,18,36H,5-6,10,12,25H2,(H2,26,30)(H,27,32)(H,28,29)(H,34,35)