methyl (2R)-4-methyl-2-[[(2S)-2-(octylamino)-3-phenyl-propanoyl]amino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[[(2S)-2-(octylamino)-3-phenyl-propanoyl]amino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[(2S)-2-(octylamino)-3-phenyl-propanoyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[(2S)-2-(octylamino)-1-oxo-3-phenylpropyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[(2S)-2-(octylamino)-3-phenylpropanoyl]amino]pentanoate Traditional Name: (2R)-4-methyl-2-[[(2S)-2-(octylamino)-3-phenyl-propanoyl]amino]valeric acid methyl ester Formula: C24H40N2O3 MolecularWeight: 404.586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N2O3/c1-5-6-7-8-9-13-16-25-21(18-20-14-11-10-12-15-20)23(27)26-22(17-19(2)3)24(28)29-4/h10-12,14-15,19,21-22,25H,5-9,13,16-18H2,1-4H3,(H,26,27)/t21-,22+/m0/s1