tert-butyl (4S)-5-[[(2S,3R,4R,5S)-6-[[(1S)-3-(diphenylmethyl)oxy-3-oxidanylidene-1-phenyl-propyl]amino]-1,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: tert-butyl (4S)-5-[[(2S,3R,4R,5S)-6-[[(1S)-3-(diphenylmethyl)oxy-3-oxidanylidene-1-phenyl-propyl]amino]-1,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate Openeye Name: tert-butyl (4S)-5-[[(1S,2R,3R,4S)-5-[[(1S)-3-benzhydryloxy-3-oxo-1-phenyl-propyl]amino]-2,3,4-trihydroxy-1-(hydroxymethyl)-5-oxo-pentyl]amino]-4-(benzyloxycarbonylamino)-5-oxo-pentanoate CAS Name: (4S)-5-[[(2S,3R,4R,5S)-6-[[(1S)-3-(diphenylmethyl)oxy-3-oxo-1-phenylpropyl]amino]-1,3,4,5-tetrahydroxy-6-oxohexan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-[[(2S,3R,4R,5S)-6-[[(1S)-3-benzhydryloxy-3-oxo-1-phenylpropyl]amino]-1,3,4,5-tetrahydroxy-6-oxohexan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (4S)-5-[[(1S,2R,3R,4S)-5-[[(1S)-3-benzhydryloxy-3-keto-1-phenyl-propyl]amino]-2,3,4-trihydroxy-5-keto-1-methylol-pentyl]amino]-4-(benzyloxycarbonylamino)-5-keto-valeric acid tert-butyl ester Formula: C45H53N3O12 MolecularWeight: 827.91522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)NC(CO)C(C(C(C(=O)NC(CC(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3)O)O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CO)[C@H]([C@H]([C@@H](C(=O)N[C@@H](CC(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3)O)O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C45H53N3O12/c1-45(2,3)60-36(50)25-24-33(48-44(57)58-28-29-16-8-4-9-17-29)42(55)47-35(27-49)38(52)39(53)40(54)43(56)46-34(30-18-10-5-11-19-30)26-37(51)59-41(31-20-12-6-13-21-31)32-22-14-7-15-23-32/h4-23,33-35,38-41,49,52-54H,24-28H2,1-3H3,(H,46,56)(H,47,55)(H,48,57)/t33-,34-,35-,38+,39+,40-/m0/s1