[(2R)-1-[methyl-[(2S)-4-methyl-1-[(2R)-1-[methyl-[(2S)-4-methyl-1-[(2R)-1-[methyl-[(2S)-4-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-phenyl-propan-2-yl]oxy-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]oxy-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl] (2S)-4-methyl-2-[methyl-(phenylmethyl)amino]pentanoate

Systemtic Name: [(2R)-1-[methyl-[(2S)-4-methyl-1-[(2R)-1-[methyl-[(2S)-4-methyl-1-[(2R)-1-[methyl-[(2S)-4-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-phenyl-propan-2-yl]oxy-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]oxy-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl] (2S)-4-methyl-2-[methyl-(phenylmethyl)amino]pentanoate Openeye Name: [(1R)-2-[[(1S)-1-[(1R)-1-benzyl-2-[[(1S)-1-[(1R)-2-[[(1S)-1-[(1R)-1-benzyl-2-tert-butoxy-2-oxo-ethoxy]carbonyl-3-methyl-butyl]-methyl-amino]-1-methyl-2-oxo-ethoxy]carbonyl-3-methyl-butyl]-methyl-amino]-2-oxo-ethoxy]carbonyl-3-methyl-butyl]-methyl-amino]-1-methyl-2-oxo-ethyl] (2S)-2-[benzyl(methyl)amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[methyl-(phenylmethyl)amino]pentanoic acid [(2R)-1-[methyl-[(2S)-4-methyl-1-[(2R)-1-[methyl-[(2S)-4-methyl-1-[(2R)-1-[methyl-[(2S)-4-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]oxy-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]oxy-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]oxy-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[methyl-[(2S)-4-methyl-1-[(2R)-1-[methyl-[(2S)-4-methyl-1-[(2R)-1-[methyl-[(2S)-4-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]oxy-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]oxy-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]oxy-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl] (2S)-2-[benzyl(methyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[benzyl(methyl)amino]-4-methyl-valeric acid [(1R)-2-[[(1S)-1-[(1R)-1-benzyl-2-[[(1S)-1-[(1R)-2-[[(1S)-1-[(1R)-1-benzyl-2-tert-butoxy-2-keto-ethoxy]carbonyl-3-methyl-butyl]-methyl-amino]-2-keto-1-methyl-ethoxy]carbonyl-3-methyl-butyl]-methyl-amino]-2-keto-ethoxy]carbonyl-3-methyl-butyl]-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C63H92N4O13 MolecularWeight: 1113.42358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)C(=O)N(C)C(CC(C)C)C(=O)OC(CC1=CC=CC=C1)C(=O)N(C)C(CC(C)C)C(=O)OC(C)C(=O)N(C)C(CC(C)C)C(=O)OC(CC2=CC=CC=C2)C(=O)OC(C)(C)C)N(C)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](CC1=CC=CC=C1)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](CC2=CC=CC=C2)C(=O)OC(C)(C)C)OC(=O)[C@H](CC(C)C)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C63H92N4O13/c1-40(2)33-49(64(14)39-48-31-25-20-26-32-48)58(71)76-44(9)55(68)65(15)51(35-42(5)6)60(73)78-53(37-46-27-21-18-22-28-46)57(70)67(17)50(34-41(3)4)59(72)77-45(10)56(69)66(16)52(36-43(7)8)61(74)79-54(62(75)80-63(11,12)13)38-47-29-23-19-24-30-47/h18-32,40-45,49-54H,33-39H2,1-17H3/t44-,45-,49+,50+,51+,52+,53-,54-/m1/s1