5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)-(1,3-benzothiazol-2-yl)amino]pentanethioic S-acid

Systemtic Name: 5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)-(1,3-benzothiazol-2-yl)amino]pentanethioic S-acid Openeye Name: 5-amino-2-[(2-amino-4-phenyl-butanoyl)-(1,3-benzothiazol-2-yl)amino]pentanethioic S-acid CAS Name: 5-amino-2-[(2-amino-1-oxo-4-phenylbutyl)-(1,3-benzothiazol-2-yl)amino]pentanethioic S-acid IUPAC Name: 5-amino-2-[(2-amino-4-phenylbutanoyl)-(1,3-benzothiazol-2-yl)amino]pentanethioic S-acid Traditional Name: 5-amino-2-[(2-amino-4-phenyl-butanoyl)-(1,3-benzothiazol-2-yl)amino]thiovaleric acid Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)N(C2=NC3=CC=CC=C3S2)C(CCCN)C(=O)S)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)N(C2=NC3=CC=CC=C3S2)C(CCCN)C(=O)S)N

InChI

InChI=1S/C22H26N4O2S2/c23-14-6-10-18(21(28)29)26(22-25-17-9-4-5-11-19(17)30-22)20(27)16(24)13-12-15-7-2-1-3-8-15/h1-5,7-9,11,16,18H,6,10,12-14,23-24H2,(H,28,29)