2-[2-[aminocarbonyl-[4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)-2-phenyl-butan-2-yl]amino]phenoxy]ethanoyl-butyl-methyl-phenyl-azanium

Systemtic Name: 2-[2-[aminocarbonyl-[4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)-2-phenyl-butan-2-yl]amino]phenoxy]ethanoyl-butyl-methyl-phenyl-azanium Openeye Name: [2-[2-[(3-amino-1-carboxy-3-oxo-1-phenyl-propyl)-carbamoyl-amino]phenoxy]acetyl]-butyl-methyl-phenyl-ammonium CAS Name: [2-[2-[(4-amino-1-hydroxy-1,4-dioxo-2-phenylbutan-2-yl)-carbamoylamino]phenoxy]-1-oxoethyl]-butyl-methyl-phenylammonium IUPAC Name: [2-[2-[(4-amino-1-hydroxy-1,4-dioxo-2-phenylbutan-2-yl)-carbamoylamino]phenoxy]acetyl]-butyl-methyl-phenylazanium Traditional Name: [2-[2-[(3-amino-1-carboxy-3-keto-1-phenyl-propyl)-carbamoyl-amino]phenoxy]acetyl]-butyl-methyl-phenyl-ammonium Formula: C30H35N4O6+ MolecularWeight: 547.6221

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C1=CC=CC=C1)C(=O)COC2=CC=CC=C2N(C(=O)N)C(CC(=O)N)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC[N+](C)(C1=CC=CC=C1)C(=O)COC2=CC=CC=C2N(C(=O)N)C(CC(=O)N)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C30H34N4O6/c1-3-4-19-34(2,23-15-9-6-10-16-23)27(36)21-40-25-18-12-11-17-24(25)33(29(32)39)30(28(37)38,20-26(31)35)22-13-7-5-8-14-22/h5-18H,3-4,19-21H2,1-2H3,(H4-,31,32,35,37,38,39)/p+1