(2S)-3-methyl-N-[(2S,3R,4R,5S)-5-[[(2S)-3-methyl-2-[(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]butanoyl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]-2-[(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]butanamide

Systemtic Name: (2S)-3-methyl-N-[(2S,3R,4R,5S)-5-[[(2S)-3-methyl-2-[(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]butanoyl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]-2-[(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]butanamide Openeye Name: (2S)-N-[(1S,2R,3R,4S)-1-benzyl-2,3-dihydroxy-4-[[(2S)-2-[(2-hydroxy-2,2-diphenyl-acetyl)amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]-2-[(2-hydroxy-2,2-diphenyl-acetyl)amino]-3-methyl-butanamide CAS Name: (2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-2-[(2-hydroxy-1-oxo-2,2-diphenylethyl)amino]-3-methyl-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]-2-[(2-hydroxy-1-oxo-2,2-diphenylethyl)amino]-3-methylbutanamide IUPAC Name: (2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-2-[(2-hydroxy-2,2-diphenylacetyl)amino]-3-methylbutanoyl]amino]-1,6-diphenylhexan-2-yl]-2-[(2-hydroxy-2,2-diphenylacetyl)amino]-3-methylbutanamide Traditional Name: (2S)-2-(benziloylamino)-N-[(1S,2R,3R,4S)-4-[[(2S)-2-(benziloylamino)-3-methyl-butanoyl]amino]-1-benzyl-2,3-dihydroxy-5-phenyl-pentyl]-3-methyl-butyramide Formula: C56H62N4O8 MolecularWeight: 919.11348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)O)NC(=O)C(C5=CC=CC=C5)(C6=CC=CC=C6)O

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)O)NC(=O)C(C5=CC=CC=C5)(C6=CC=CC=C6)O

InChI

InChI=1S/C56H62N4O8/c1-37(2)47(59-53(65)55(67,41-27-15-7-16-28-41)42-29-17-8-18-30-42)51(63)57-45(35-39-23-11-5-12-24-39)49(61)50(62)46(36-40-25-13-6-14-26-40)58-52(64)48(38(3)4)60-54(66)56(68,43-31-19-9-20-32-43)44-33-21-10-22-34-44/h5-34,37-38,45-50,61-62,67-68H,35-36H2,1-4H3,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t45-,46-,47-,48-,49+,50+/m0/s1