(2S)-2-[2-(benzotriazol-1-yl)ethanoyl-phenethyl-amino]-N-tert-butyl-2-thiophen-3-yl-ethanamide

Systemtic Name: (2S)-2-[2-(benzotriazol-1-yl)ethanoyl-phenethyl-amino]-N-tert-butyl-2-thiophen-3-yl-ethanamide Openeye Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-phenethyl-amino]-N-tert-butyl-2-(3-thienyl)acetamide CAS Name: (2S)-2-[[2-(1-benzotriazolyl)-1-oxoethyl]-phenethylamino]-N-tert-butyl-2-(3-thiophenyl)acetamide IUPAC Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-phenethylamino]-N-tert-butyl-2-thiophen-3-ylacetamide Traditional Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-phenethyl-amino]-N-tert-butyl-2-(3-thienyl)acetamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CSC=C1)N(CCC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)(C)NC(=O)[C@H](C1=CSC=C1)N(CCC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H29N5O2S/c1-26(2,3)27-25(33)24(20-14-16-34-18-20)30(15-13-19-9-5-4-6-10-19)23(32)17-31-22-12-8-7-11-21(22)28-29-31/h4-12,14,16,18,24H,13,15,17H2,1-3H3,(H,27,33)/t24-/m0/s1