(2S)-N-[(2S,3R)-4-[(4-ethanoylphenyl)sulfonyl-(2-methylpropyl)amino]-3-methyl-1-phenyl-butan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxidanylidene-imidazolidin-1-yl]butanamide

Systemtic Name: (2S)-N-[(2S,3R)-4-[(4-ethanoylphenyl)sulfonyl-(2-methylpropyl)amino]-3-methyl-1-phenyl-butan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxidanylidene-imidazolidin-1-yl]butanamide Openeye Name: (2S)-N-[(1S,2R)-3-[(4-acetylphenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-methyl-propyl]-3-methyl-2-[3-[(2-methylthiazol-4-yl)methyl]-2-oxo-imidazolidin-1-yl]butanamide CAS Name: (2S)-N-[(2S,3R)-4-[(4-acetylphenyl)sulfonyl-(2-methylpropyl)amino]-3-methyl-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-4-thiazolyl)methyl]-2-oxo-1-imidazolidinyl]butanamide IUPAC Name: (2S)-N-[(2S,3R)-4-[(4-acetylphenyl)sulfonyl-(2-methylpropyl)amino]-3-methyl-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide Traditional Name: (2S)-N-[(1S,2R)-3-[(4-acetylphenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-methyl-propyl]-2-[2-keto-3-[(2-methylthiazol-4-yl)methyl]imidazolidin-1-yl]-3-methyl-butyramide Formula: C36H49N5O5S2 MolecularWeight: 695.93476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCN(C2=O)C(C(C)C)C(=O)NC(CC3=CC=CC=C3)C(C)CN(CC(C)C)S(=O)(=O)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=NC(=CS1)CN2CCN(C2=O)[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)[C@H](C)CN(CC(C)C)S(=O)(=O)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C36H49N5O5S2/c1-24(2)20-40(48(45,46)32-15-13-30(14-16-32)27(6)42)21-26(5)33(19-29-11-9-8-10-12-29)38-35(43)34(25(3)4)41-18-17-39(36(41)44)22-31-23-47-28(7)37-31/h8-16,23-26,33-34H,17-22H2,1-7H3,(H,38,43)/t26-,33+,34+/m1/s1