methyl (2R)-2-[[(2R)-2-[(5-azanyl-7-methyl-3-oxidanyl-octanoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-2-[(5-azanyl-7-methyl-3-oxidanyl-octanoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[(2R)-2-[(5-amino-3-hydroxy-7-methyl-octanoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[(2R)-2-[(5-amino-3-hydroxy-7-methyl-1-oxooctyl)amino]-3-methyl-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-2-[(5-amino-3-hydroxy-7-methyloctanoyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[(2R)-2-[(5-amino-3-hydroxy-7-methyl-octanoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H39N3O5 MolecularWeight: 449.58356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(CC(CC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)OC)O)N

InChI

InChI=1S/C24H39N3O5/c1-15(2)11-18(25)13-19(28)14-21(29)27-22(16(3)4)23(30)26-20(24(31)32-5)12-17-9-7-6-8-10-17/h6-10,15-16,18-20,22,28H,11-14,25H2,1-5H3,(H,26,30)(H,27,29)/t18?,19?,20-,22-/m1/s1