(2S)-2-[[3-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]methylcarbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[3-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]methylcarbamoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[3-[[8-(hydroxyamino)-8-oxo-octanoyl]amino]phenyl]methylcarbamoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[[3-[[8-(hydroxyamino)-1,8-dioxooctyl]amino]phenyl]methylamino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[3-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylcarbamoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[3-[[8-(hydroxyamino)-8-keto-octanoyl]amino]benzyl]carbamoylamino]-3-phenyl-propionic acid Formula: C25H32N4O6 MolecularWeight: 484.54478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)NCC2=CC(=CC=C2)NC(=O)CCCCCCC(=O)NO

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)NCC2=CC(=CC=C2)NC(=O)CCCCCCC(=O)NO

InChI

InChI=1S/C25H32N4O6/c30-22(13-6-1-2-7-14-23(31)29-35)27-20-12-8-11-19(15-20)17-26-25(34)28-21(24(32)33)16-18-9-4-3-5-10-18/h3-5,8-12,15,21,35H,1-2,6-7,13-14,16-17H2,(H,27,30)(H,29,31)(H,32,33)(H2,26,28,34)/t21-/m0/s1