[azanyl-[4-[methyl-[4-oxidanylidene-4-[[(3S)-5-oxidanyl-5-oxidanylidene-pent-1-en-3-yl]amino]butanoyl]amino]phenyl]methylidene]azanium

Systemtic Name: [azanyl-[4-[methyl-[4-oxidanylidene-4-[[(3S)-5-oxidanyl-5-oxidanylidene-pent-1-en-3-yl]amino]butanoyl]amino]phenyl]methylidene]azanium Openeye Name: [amino-[4-[[4-[[(1S)-1-(carboxymethyl)allyl]amino]-4-oxo-butanoyl]-methyl-amino]phenyl]methylene]ammonium CAS Name: [amino-[4-[[4-[[(3S)-5-hydroxy-5-oxopent-1-en-3-yl]amino]-1,4-dioxobutyl]-methylamino]phenyl]methylidene]ammonium IUPAC Name: [amino-[4-[[4-[[(3S)-5-hydroxy-5-oxopent-1-en-3-yl]amino]-4-oxobutanoyl]-methylamino]phenyl]methylidene]azanium Traditional Name: [amino-[4-[[4-[[(1S)-1-(carboxymethyl)allyl]amino]-4-keto-butanoyl]-methyl-amino]phenyl]methylene]ammonium Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=[NH2+])N)C(=O)CCC(=O)NC(CC(=O)O)C=C

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=[NH2+])N)C(=O)CCC(=O)N[C@@H](CC(=O)O)C=C

InChI

InChI=1S/C17H22N4O4/c1-3-12(10-16(24)25)20-14(22)8-9-15(23)21(2)13-6-4-11(5-7-13)17(18)19/h3-7,12H,1,8-10H2,2H3,(H3,18,19)(H,20,22)(H,24,25)/p+1/t12-/m1/s1