(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]oxypropanoyl]amino]pentanoyl]oxy-3-phenyl-propanoyl]amino]pentanoyl]oxypropanoyl]amino]pentanoyl]oxy-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]oxypropanoyl]amino]pentanoyl]oxy-3-phenyl-propanoyl]amino]pentanoyl]oxypropanoyl]amino]pentanoyl]oxy-3-phenyl-propanoic acid Openeye Name: (2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]oxypropanoyl]amino]pentanoyl]oxy-3-phenyl-propanoyl]amino]pentanoyl]oxypropanoyl]amino]pentanoyl]oxy-3-phenyl-propanoic acid CAS Name: (2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-(methylamino)-1-oxopentoxy]-1-oxopropyl]amino]-1-oxopentoxy]-1-oxo-3-phenylpropyl]amino]-1-oxopentoxy]-1-oxopropyl]amino]-1-oxopentoxy]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]oxypropanoyl]amino]pentanoyl]oxy-3-phenylpropanoyl]amino]pentanoyl]oxypropanoyl]amino]pentanoyl]oxy-3-phenylpropanoic acid Traditional Name: (2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]oxypropanoyl]amino]pentanoyl]oxy-3-phenyl-propanoyl]amino]pentanoyl]oxypropanoyl]amino]pentanoyl]oxy-3-phenyl-propionic acid Formula: C52H78N4O13 MolecularWeight: 967.19472

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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)O)NC

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)O)OC(=O)[C@H](CC(C)C)NC

InChI

InChI=1S/C52H78N4O13/c1-31(2)25-39(53-11)49(62)66-35(9)45(57)54(12)41(27-33(5)6)51(64)68-43(29-37-21-17-15-18-22-37)47(59)56(14)40(26-32(3)4)50(63)67-36(10)46(58)55(13)42(28-34(7)8)52(65)69-44(48(60)61)30-38-23-19-16-20-24-38/h15-24,31-36,39-44,53H,25-30H2,1-14H3,(H,60,61)/t35-,36-,39+,40+,41+,42+,43-,44-/m1/s1