(2S)-N-[(E,3S)-2,5-dimethyl-6-oxidanyl-6-(1,3-thiazol-2-yl)hex-4-en-3-yl]-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenyl-butanoyl]amino]butanamide

Systemtic Name: (2S)-N-[(E,3S)-2,5-dimethyl-6-oxidanyl-6-(1,3-thiazol-2-yl)hex-4-en-3-yl]-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenyl-butanoyl]amino]butanamide Openeye Name: (2S)-N-[(E,1S)-4-hydroxy-1-isopropyl-3-methyl-4-thiazol-2-yl-but-2-enyl]-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenyl-butanoyl]amino]butanamide CAS Name: (2S)-N-[(E,3S)-6-hydroxy-2,5-dimethyl-6-(2-thiazolyl)hex-4-en-3-yl]-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-1-oxo-3-phenylbutyl]amino]butanamide IUPAC Name: (2S)-N-[(E,3S)-6-hydroxy-2,5-dimethyl-6-(1,3-thiazol-2-yl)hex-4-en-3-yl]-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanamide Traditional Name: (2S)-N-[(E,1S)-4-hydroxy-1-isopropyl-3-methyl-4-thiazol-2-yl-but-2-enyl]-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenyl-butanoyl]amino]butyramide Formula: C30H46N4O3S MolecularWeight: 542.77624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=C(C)C(C1=NC=CS1)O)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C2=CC=CC=C2)NC

Isomeric SMILES

CC(C)[C@@H](/C=C(\C)/C(C1=NC=CS1)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C2=CC=CC=C2)NC

InChI

InChI=1S/C30H46N4O3S/c1-19(2)22(18-20(3)23(35)27-32-16-17-38-27)34(10)28(37)25(29(4,5)6)33-26(36)24(31-9)30(7,8)21-14-12-11-13-15-21/h11-19,22-25,31,35H,1-10H3,(H,33,36)/b20-18+/t22-,23?,24-,25-/m1/s1