5-azanyl-2-[(2-azanyl-3-naphthalen-2-yl-propanoyl)-(1,3-benzothiazol-2-yl)amino]pentanethioic S-acid

Systemtic Name: 5-azanyl-2-[(2-azanyl-3-naphthalen-2-yl-propanoyl)-(1,3-benzothiazol-2-yl)amino]pentanethioic S-acid Openeye Name: 5-amino-2-[[2-amino-3-(2-naphthyl)propanoyl]-(1,3-benzothiazol-2-yl)amino]pentanethioic S-acid CAS Name: 5-amino-2-[[2-amino-3-(2-naphthalenyl)-1-oxopropyl]-(1,3-benzothiazol-2-yl)amino]pentanethioic S-acid IUPAC Name: 5-amino-2-[(2-amino-3-naphthalen-2-ylpropanoyl)-(1,3-benzothiazol-2-yl)amino]pentanethioic S-acid Traditional Name: 5-amino-2-[[2-amino-3-(2-naphthyl)propanoyl]-(1,3-benzothiazol-2-yl)amino]thiovaleric acid Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)N(C3=NC4=CC=CC=C4S3)C(CCCN)C(=O)S)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)N(C3=NC4=CC=CC=C4S3)C(CCCN)C(=O)S)N

InChI

InChI=1S/C25H26N4O2S2/c26-13-5-9-21(24(31)32)29(25-28-20-8-3-4-10-22(20)33-25)23(30)19(27)15-16-11-12-17-6-1-2-7-18(17)14-16/h1-4,6-8,10-12,14,19,21H,5,9,13,15,26-27H2,(H,31,32)