N-[(2S)-5-[[(1S)-2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl]-ethanoyl-amino]-3-oxidanyl-1-phenyl-pentan-2-yl]-2-methyl-3-oxidanyl-benzamide

Systemtic Name: N-[(2S)-5-[[(1S)-2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl]-ethanoyl-amino]-3-oxidanyl-1-phenyl-pentan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: N-[(1S)-4-[acetyl-[(1S)-2-(tert-butylamino)-2-oxo-1-phenyl-ethyl]amino]-1-benzyl-2-hydroxy-butyl]-3-hydroxy-2-methyl-benzamide CAS Name: N-[(2S)-5-[acetyl-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]amino]-3-hydroxy-1-phenylpentan-2-yl]-3-hydroxy-2-methylbenzamide IUPAC Name: N-[(2S)-5-[acetyl-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]amino]-3-hydroxy-1-phenylpentan-2-yl]-3-hydroxy-2-methylbenzamide Traditional Name: N-[(1S)-4-[acetyl-[(1S)-2-(tert-butylamino)-2-keto-1-phenyl-ethyl]amino]-1-benzyl-2-hydroxy-butyl]-3-hydroxy-2-methyl-benzamide Formula: C33H41N3O5 MolecularWeight: 559.69574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(CCN(C(C3=CC=CC=C3)C(=O)NC(C)(C)C)C(=O)C)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)C(CCN([C@@H](C3=CC=CC=C3)C(=O)NC(C)(C)C)C(=O)C)O

InChI

InChI=1S/C33H41N3O5/c1-22-26(17-12-18-28(22)38)31(40)34-27(21-24-13-8-6-9-14-24)29(39)19-20-36(23(2)37)30(25-15-10-7-11-16-25)32(41)35-33(3,4)5/h6-18,27,29-30,38-39H,19-21H2,1-5H3,(H,34,40)(H,35,41)/t27-,29?,30-/m0/s1