2-[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-4-methylsulfanyl-N-naphthalen-2-yl-butanamide

Systemtic Name: 2-[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-4-methylsulfanyl-N-naphthalen-2-yl-butanamide Openeye Name: 2-[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2,5-dioxo-pyrrolidin-1-ium-1-yl]-4-methylsulfanyl-N-(2-naphthyl)butanamide CAS Name: 2-[1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2,5-dioxo-1-pyrrolidin-1-iumyl]-4-(methylthio)-N-(2-naphthalenyl)butanamide IUPAC Name: 2-[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2,5-dioxopyrrolidin-1-ium-1-yl]-4-methylsulfanyl-N-naphthalen-2-ylbutanamide Traditional Name: 2-(2,5-diketo-1-tyrosyl-pyrrolidin-1-ium-1-yl)-4-(methylthio)-N-(2-naphthyl)butyramide Formula: C28H30N3O5S+ MolecularWeight: 520.6199

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)[N+]3(C(=O)CCC3=O)C(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)[N+]3(C(=O)CCC3=O)C(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C28H29N3O5S/c1-37-15-14-24(27(35)30-21-9-8-19-4-2-3-5-20(19)17-21)31(25(33)12-13-26(31)34)28(36)23(29)16-18-6-10-22(32)11-7-18/h2-11,17,23-24H,12-16,29H2,1H3,(H-,30,32,35)/p+1