methyl (3S)-3-(decanoylamino)-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-3-(decanoylamino)-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-3-(decanoylamino)-4-oxo-butanoate CAS Name: (3S)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-(1-oxodecylamino)butanoic acid methyl ester IUPAC Name: methyl (3S)-3-(decanoylamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-3-(caprylamino)-4-keto-butyric acid methyl ester Formula: C25H38N2O6 MolecularWeight: 462.57902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O6/c1-4-5-6-7-8-9-13-16-22(28)26-20(18-23(29)32-2)24(30)27-21(25(31)33-3)17-19-14-11-10-12-15-19/h10-12,14-15,20-21H,4-9,13,16-18H2,1-3H3,(H,26,28)(H,27,30)/t20-,21-/m0/s1