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

Systemtic Name: N-tert-butyl-1-[3-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]piperazine-2-carboxamide Openeye Name: N-tert-butyl-1-[2-hydroxy-3-[[2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-4-phenyl-butyl]piperazine-2-carboxamide CAS Name: N-tert-butyl-1-[2-hydroxy-3-[[3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-4-phenylbutyl]-2-piperazinecarboxamide IUPAC Name: N-tert-butyl-1-[2-hydroxy-3-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-4-phenylbutyl]piperazine-2-carboxamide Traditional Name: N-tert-butyl-1-[2-hydroxy-3-[[2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-4-phenyl-butyl]piperazine-2-carboxamide Formula: C33H53N7O4S MolecularWeight: 643.88342

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H53N7O4S/c1-21(2)28(37-32(44)39(8)18-24-20-45-31(35-24)22(3)4)30(43)36-25(16-23-12-10-9-11-13-23)27(41)19-40-15-14-34-17-26(40)29(42)38-33(5,6)7/h9-13,20-22,25-28,34,41H,14-19H2,1-8H3,(H,36,43)(H,37,44)(H,38,42)