(2S)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[[(2S)-4-methyl-2-(phenylmethoxyamino)pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[[(2S)-4-methyl-2-(phenylmethoxyamino)pentanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-(benzyloxyamino)-4-methyl-pentanoyl]amino]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoic acid CAS Name: (2S)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxyamino)pentyl]amino]propanoic acid IUPAC Name: (2S)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-(phenylmethoxyamino)pentanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-(benzoxyamino)-4-methyl-pentanoyl]amino]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid Formula: C30H44N2O5 MolecularWeight: 512.68076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)O)NOCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)O)NOCC2=CC=CC=C2

InChI

InChI=1S/C30H44N2O5/c1-19(2)14-24(32-37-18-20-12-10-9-11-13-20)27(34)31-25(28(35)36)17-21-15-22(29(3,4)5)26(33)23(16-21)30(6,7)8/h9-13,15-16,19,24-25,32-33H,14,17-18H2,1-8H3,(H,31,34)(H,35,36)/t24-,25-/m0/s1