2-[2,6-bis(azanyl)hexanoyl-naphthalen-2-yl-amino]-3-phenyl-propanethioic S-acid

Systemtic Name: 2-[2,6-bis(azanyl)hexanoyl-naphthalen-2-yl-amino]-3-phenyl-propanethioic S-acid Openeye Name: 2-[2,6-diaminohexanoyl(2-naphthyl)amino]-3-phenyl-propanethioic S-acid CAS Name: 2-[(2,6-diamino-1-oxohexyl)-(2-naphthalenyl)amino]-3-phenylpropanethioic S-acid IUPAC Name: 2-[2,6-diaminohexanoyl(naphthalen-2-yl)amino]-3-phenylpropanethioic S-acid Traditional Name: 2-[2,6-diaminohexanoyl(2-naphthyl)amino]-3-phenyl-thiopropionic acid Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)S)N(C2=CC3=CC=CC=C3C=C2)C(=O)C(CCCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)S)N(C2=CC3=CC=CC=C3C=C2)C(=O)C(CCCCN)N

InChI

InChI=1S/C25H29N3O2S/c26-15-7-6-12-22(27)24(29)28(21-14-13-19-10-4-5-11-20(19)17-21)23(25(30)31)16-18-8-2-1-3-9-18/h1-5,8-11,13-14,17,22-23H,6-7,12,15-16,26-27H2,(H,30,31)