(2S)-N-[(2S)-3-(3-tert-butyl-4-oxidanyl-phenyl)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methyl-amino]-3-methyl-butanamide

Systemtic Name: (2S)-N-[(2S)-3-(3-tert-butyl-4-oxidanyl-phenyl)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methyl-amino]-3-methyl-butanamide Openeye Name: (2S)-N-[(1S)-1-[(3-tert-butyl-4-hydroxy-phenyl)methyl]-2-(ethylamino)-2-oxo-ethyl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methyl-amino]-3-methyl-butanamide CAS Name: (2S)-N-[(2S)-3-(3-tert-butyl-4-hydroxyphenyl)-1-(ethylamino)-1-oxopropan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)-1-oxopropyl]-methylamino]-3-methylbutanamide IUPAC Name: (2S)-N-[(2S)-3-(3-tert-butyl-4-hydroxyphenyl)-1-(ethylamino)-1-oxopropan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methylamino]-3-methylbutanamide Traditional Name: (2S)-N-[(1S)-1-(3-tert-butyl-4-hydroxy-benzyl)-2-(ethylamino)-2-keto-ethyl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methyl-amino]-3-methyl-butyramide Formula: C31H45FN4O4 MolecularWeight: 556.711803

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(CC1=CC(=C(C=C1)O)C(C)(C)C)NC(=O)C(C(C)C)N(C)C(=O)C(CC2=CC=C(C=C2)F)NC

Isomeric SMILES

CCNC(=O)[C@H](CC1=CC(=C(C=C1)O)C(C)(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC2=CC=C(C=C2)F)NC

InChI

InChI=1S/C31H45FN4O4/c1-9-34-28(38)24(18-21-12-15-26(37)23(16-21)31(4,5)6)35-29(39)27(19(2)3)36(8)30(40)25(33-7)17-20-10-13-22(32)14-11-20/h10-16,19,24-25,27,33,37H,9,17-18H2,1-8H3,(H,34,38)(H,35,39)/t24-,25-,27-/m0/s1