N-tert-butyl-1-[3-[[3-methyl-2-[3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoylamino]butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]piperazine-2-carboxamide

Systemtic Name: N-tert-butyl-1-[3-[[3-methyl-2-[3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoylamino]butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]piperazine-2-carboxamide Openeye Name: N-tert-butyl-1-[2-hydroxy-3-[[2-[3-(2-isopropylthiazol-4-yl)propanoylamino]-3-methyl-butanoyl]amino]-4-phenyl-butyl]piperazine-2-carboxamide CAS Name: N-tert-butyl-1-[2-hydroxy-3-[[3-methyl-1-oxo-2-[[1-oxo-3-(2-propan-2-yl-4-thiazolyl)propyl]amino]butyl]amino]-4-phenylbutyl]-2-piperazinecarboxamide IUPAC Name: N-tert-butyl-1-[2-hydroxy-3-[[3-methyl-2-[3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoylamino]butanoyl]amino]-4-phenylbutyl]piperazine-2-carboxamide Traditional Name: N-tert-butyl-1-[2-hydroxy-3-[[2-[3-(2-isopropylthiazol-4-yl)propanoylamino]-3-methyl-butanoyl]amino]-4-phenyl-butyl]piperazine-2-carboxamide Formula: C33H52N6O4S MolecularWeight: 628.86878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)CCC(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(CN3CCNCC3C(=O)NC(C)(C)C)O

Isomeric SMILES

CC(C)C1=NC(=CS1)CCC(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(CN3CCNCC3C(=O)NC(C)(C)C)O

InChI

InChI=1S/C33H52N6O4S/c1-21(2)29(37-28(41)14-13-24-20-44-32(35-24)22(3)4)31(43)36-25(17-23-11-9-8-10-12-23)27(40)19-39-16-15-34-18-26(39)30(42)38-33(5,6)7/h8-12,20-22,25-27,29,34,40H,13-19H2,1-7H3,(H,36,43)(H,37,41)(H,38,42)