tert-butyl 6-methyl-5-(methylamino)-2-[2-methyl-4-[methyl-(phenylmethyl)amino]-2-oxidanyl-3-oxidanylidene-pentanoyl]-2-oxidanyl-4-oxidanylidene-octanoate

Systemtic Name: tert-butyl 6-methyl-5-(methylamino)-2-[2-methyl-4-[methyl-(phenylmethyl)amino]-2-oxidanyl-3-oxidanylidene-pentanoyl]-2-oxidanyl-4-oxidanylidene-octanoate Openeye Name: tert-butyl 2-[4-[benzyl(methyl)amino]-2-hydroxy-2-methyl-3-oxo-pentanoyl]-2-hydroxy-6-methyl-5-(methylamino)-4-oxo-octanoate CAS Name: 2-hydroxy-2-[2-hydroxy-2-methyl-4-[methyl-(phenylmethyl)amino]-1,3-dioxopentyl]-6-methyl-5-(methylamino)-4-oxooctanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[benzyl(methyl)amino]-2-hydroxy-2-methyl-3-oxopentanoyl]-2-hydroxy-6-methyl-5-(methylamino)-4-oxooctanoate Traditional Name: 2-[4-[benzyl(methyl)amino]-2-hydroxy-3-keto-2-methyl-pentanoyl]-2-hydroxy-4-keto-6-methyl-5-(methylamino)caprylic acid tert-butyl ester Formula: C28H44N2O7 MolecularWeight: 520.65816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)CC(C(=O)C(C)(C(=O)C(C)N(C)CC1=CC=CC=C1)O)(C(=O)OC(C)(C)C)O)NC

Isomeric SMILES

CCC(C)C(C(=O)CC(C(=O)C(C)(C(=O)C(C)N(C)CC1=CC=CC=C1)O)(C(=O)OC(C)(C)C)O)NC

InChI

InChI=1S/C28H44N2O7/c1-10-18(2)22(29-8)21(31)16-28(36,25(34)37-26(4,5)6)24(33)27(7,35)23(32)19(3)30(9)17-20-14-12-11-13-15-20/h11-15,18-19,22,29,35-36H,10,16-17H2,1-9H3