(phenylmethyl) (2S)-4-azanyl-2-[[(2S)-3-[3-[(3S)-3-[(1R,2R)-1,3-bis(oxidanyl)-2-(phenylmethoxycarbonylamino)propyl]-3-oxidanyl-2-oxidanylidene-1H-indol-7-yl]-4-oxidanyl-phenyl]-2-[(3-methyl-2-oxidanylidene-pentanoyl)amino]propanoyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (2S)-4-azanyl-2-[[(2S)-3-[3-[(3S)-3-[(1R,2R)-1,3-bis(oxidanyl)-2-(phenylmethoxycarbonylamino)propyl]-3-oxidanyl-2-oxidanylidene-1H-indol-7-yl]-4-oxidanyl-phenyl]-2-[(3-methyl-2-oxidanylidene-pentanoyl)amino]propanoyl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (2S)-4-amino-2-[[(2S)-3-[3-[(3S)-3-[(1R,2R)-2-(benzyloxycarbonylamino)-1,3-dihydroxy-propyl]-3-hydroxy-2-oxo-indolin-7-yl]-4-hydroxy-phenyl]-2-[(3-methyl-2-oxo-pentanoyl)amino]propanoyl]amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[(2S)-3-[3-[(3S)-3-[(1R,2R)-1,3-dihydroxy-2-(phenylmethoxycarbonylamino)propyl]-3-hydroxy-2-oxo-1H-indol-7-yl]-4-hydroxyphenyl]-2-[(3-methyl-1,2-dioxopentyl)amino]-1-oxopropyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-amino-2-[[(2S)-3-[3-[(3S)-3-[(1R,2R)-1,3-dihydroxy-2-(phenylmethoxycarbonylamino)propyl]-3-hydroxy-2-oxo-1H-indol-7-yl]-4-hydroxyphenyl]-2-[(3-methyl-2-oxopentanoyl)amino]propanoyl]amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[[(2S)-3-[3-[(3S)-3-[(1R,2R)-2-(benzyloxycarbonylamino)-1,3-dihydroxy-propyl]-3-hydroxy-2-keto-indolin-7-yl]-4-hydroxy-phenyl]-2-[(2-keto-3-methyl-pentanoyl)amino]propanoyl]amino]-4-keto-butyric acid benzyl ester Formula: C45H49N5O13 MolecularWeight: 867.89626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=O)NC(CC1=CC(=C(C=C1)O)C2=C3C(=CC=C2)C(C(=O)N3)(C(C(CO)NC(=O)OCC4=CC=CC=C4)O)O)C(=O)NC(CC(=O)N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCC(C)C(=O)C(=O)N[C@@H](CC1=CC(=C(C=C1)O)C2=C3C(=CC=C2)[C@@](C(=O)N3)([C@@H]([C@@H](CO)NC(=O)OCC4=CC=CC=C4)O)O)C(=O)N[C@@H](CC(=O)N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C45H49N5O13/c1-3-25(2)38(54)41(57)47-32(40(56)48-33(21-36(46)53)42(58)62-23-26-11-6-4-7-12-26)20-28-17-18-35(52)30(19-28)29-15-10-16-31-37(29)50-43(59)45(31,61)39(55)34(22-51)49-44(60)63-24-27-13-8-5-9-14-27/h4-19,25,32-34,39,51-52,55,61H,3,20-24H2,1-2H3,(H2,46,53)(H,47,57)(H,48,56)(H,49,60)(H,50,59)/t25?,32-,33-,34+,39+,45-/m0/s1