methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[[4-[oxan-2-yloxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]-4-oxidanylidene-butanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[[4-[oxan-2-yloxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]-4-oxidanylidene-butanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[[4-oxo-4-[tetrahydropyran-2-yloxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]butanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[[4-[2-oxanyloxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]-1,4-dioxobutyl]amino]-1-oxobutyl]amino]-1-oxopentyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[[4-[oxan-2-yloxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]-4-oxobutanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[4-keto-4-[tetrahydropyran-2-yloxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]butanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]propionic acid methyl ester Formula: C39H66N4O9 MolecularWeight: 734.96274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)OC)NC(=O)C(C(C)C)NC(=O)CCC(=O)N(CC=C(C)CCC=C(C)CCC=C(C)C)OC1CCCCO1

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)CCC(=O)N(C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)OC1CCCCO1

InChI

InChI=1S/C39H66N4O9/c1-26(2)14-12-15-29(7)16-13-17-30(8)21-22-43(52-35-18-10-11-23-51-35)34(46)20-19-33(45)42-36(28(5)6)38(48)40-31(24-27(3)4)37(47)41-32(25-44)39(49)50-9/h14,16,21,27-28,31-32,35-36,44H,10-13,15,17-20,22-25H2,1-9H3,(H,40,48)(H,41,47)(H,42,45)/b29-16+,30-21+/t31-,32-,35?,36-/m0/s1