(2R)-2-[[(2E,5S,6R,7E)-5-[(2S)-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-4-methyl-pentanoyl]oxy-6-methyl-8-phenyl-octa-2,7-dienoyl]amino]-3-phenylmethoxy-propanoic acid

Systemtic Name: (2R)-2-[[(2E,5S,6R,7E)-5-[(2S)-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-4-methyl-pentanoyl]oxy-6-methyl-8-phenyl-octa-2,7-dienoyl]amino]-3-phenylmethoxy-propanoic acid Openeye Name: (2R)-3-benzyloxy-2-[[(2E,5S,6R,7E)-5-[(2S)-2-[3-(tert-butoxycarbonylamino)-2,2-dimethyl-propanoyl]oxy-4-methyl-pentanoyl]oxy-6-methyl-8-phenyl-octa-2,7-dienoyl]amino]propanoic acid CAS Name: (2R)-2-[[(2E,5S,6R,7E)-5-[(2S)-2-[2,2-dimethyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]-4-methyl-1-oxopentoxy]-6-methyl-1-oxo-8-phenylocta-2,7-dienyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: (2R)-2-[[(2E,5S,6R,7E)-5-[(2S)-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-4-methylpentanoyl]oxy-6-methyl-8-phenylocta-2,7-dienoyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: (2R)-3-benzoxy-2-[[(2E,5S,6R,7E)-5-[(2S)-2-[3-(tert-butoxycarbonylamino)-2,2-dimethyl-propanoyl]oxy-4-methyl-pentanoyl]oxy-6-methyl-8-phenyl-octa-2,7-dienoyl]amino]propionic acid Formula: C41H56N2O10 MolecularWeight: 736.89074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(CC=CC(=O)NC(COCC1=CC=CC=C1)C(=O)O)C(C)C=CC2=CC=CC=C2)OC(=O)C(C)(C)CNC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](/C=C/C1=CC=CC=C1)[C@H](C/C=C/C(=O)N[C@H](COCC2=CC=CC=C2)C(=O)O)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C41H56N2O10/c1-28(2)24-34(52-38(48)41(7,8)27-42-39(49)53-40(4,5)6)37(47)51-33(29(3)22-23-30-16-11-9-12-17-30)20-15-21-35(44)43-32(36(45)46)26-50-25-31-18-13-10-14-19-31/h9-19,21-23,28-29,32-34H,20,24-27H2,1-8H3,(H,42,49)(H,43,44)(H,45,46)/b21-15+,23-22+/t29-,32-,33+,34+/m1/s1