S-naphthalen-2-yl 2-[2,5-bis(azanyl)pentanoylamino]-3-phenyl-propanethioate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: S-naphthalen-2-yl 2-[2,5-bis(azanyl)pentanoylamino]-3-phenyl-propanethioate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: S-(2-naphthyl) 2-(2,5-diaminopentanoylamino)-3-phenyl-propanethioate; 2,2,2-trifluoroacetic acid CAS Name: 2-[(2,5-diamino-1-oxopentyl)amino]-3-phenylpropanethioic acid S-(2-naphthalenyl) ester; 2,2,2-trifluoroacetic acid IUPAC Name: S-naphthalen-2-yl 2-(2,5-diaminopentanoylamino)-3-phenylpropanethioate; 2,2,2-trifluoroacetic acid Traditional Name: 2-(2,5-diaminopentanoylamino)-3-phenyl-propanethioic acid S-(2-naphthyl) ester; 2,2,2-trifluoroacetic acid Formula: C26H28F3N3O4S MolecularWeight: 535.57843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)SC2=CC3=CC=CC=C3C=C2)NC(=O)C(CCCN)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)SC2=CC3=CC=CC=C3C=C2)NC(=O)C(CCCN)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H27N3O2S.C2HF3O2/c25-14-6-11-21(26)23(28)27-22(15-17-7-2-1-3-8-17)24(29)30-20-13-12-18-9-4-5-10-19(18)16-20;3-2(4,5)1(6)7/h1-5,7-10,12-13,16,21-22H,6,11,14-15,25-26H2,(H,27,28);(H,6,7)