[(2S)-1-[(3S,4R,5R)-1-[(2S)-2-azanyl-3-methyl-butanoyl]-4-[4-[[(2S)-3-methoxy-2-methyl-propoxy]methyl]phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-3-yl]oxy-3-methoxy-propan-2-yl] (2R)-2-azanyl-3-methyl-butanoate

Systemtic Name: [(2S)-1-[(3S,4R,5R)-1-[(2S)-2-azanyl-3-methyl-butanoyl]-4-[4-[[(2S)-3-methoxy-2-methyl-propoxy]methyl]phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-3-yl]oxy-3-methoxy-propan-2-yl] (2R)-2-azanyl-3-methyl-butanoate Openeye Name: [(1S)-1-[[(3S,4R,5R)-1-[(2S)-2-amino-3-methyl-butanoyl]-4-[4-[[(2S)-3-methoxy-2-methyl-propoxy]methyl]phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]-3-piperidyl]oxymethyl]-2-methoxy-ethyl] (2R)-2-amino-3-methyl-butanoate CAS Name: (2R)-2-amino-3-methylbutanoic acid [(2S)-1-[[(3S,4R,5R)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-4-[4-[[(2S)-3-methoxy-2-methylpropoxy]methyl]phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]-3-piperidinyl]oxy]-3-methoxypropan-2-yl] ester IUPAC Name: [(2S)-1-[(3S,4R,5R)-1-[(2S)-2-amino-3-methylbutanoyl]-4-[4-[[(2S)-3-methoxy-2-methylpropoxy]methyl]phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-3-yl]oxy-3-methoxypropan-2-yl] (2R)-2-amino-3-methylbutanoate Traditional Name: (2R)-2-amino-3-methyl-butyric acid [(1S)-1-[[(3S,4R,5R)-1-[(2S)-2-amino-3-methyl-butanoyl]-4-[4-[[(2S)-3-methoxy-2-methyl-propoxy]methyl]phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]-3-piperidyl]oxymethyl]-2-methoxy-ethyl] ester Formula: C44H70N4O10 MolecularWeight: 815.0474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC(C(C(C1)OCC(COC)OC(=O)C(C(C)C)N)C2=CC=C(C=C2)COCC(C)COC)OCC3=CC4=C(C=C3)OCCN4CCCOC)N

Isomeric SMILES

C[C@@H](COC)COCC1=CC=C(C=C1)[C@@H]2[C@H](CN(C[C@H]2OC[C@H](COC)OC(=O)[C@@H](C(C)C)N)C(=O)[C@H](C(C)C)N)OCC3=CC4=C(C=C3)OCCN4CCCOC

InChI

InChI=1S/C44H70N4O10/c1-29(2)41(45)43(49)48-21-38(56-26-33-12-15-37-36(20-33)47(17-19-55-37)16-9-18-51-6)40(34-13-10-32(11-14-34)25-54-24-31(5)23-52-7)39(22-48)57-28-35(27-53-8)58-44(50)42(46)30(3)4/h10-15,20,29-31,35,38-42H,9,16-19,21-28,45-46H2,1-8H3/t31-,35-,38-,39+,40+,41-,42+/m0/s1