methyl (2S)-4-methyl-2-[[(2S)-2-(2-phenylethanoylamino)propanoyl]amino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[(2S)-2-(2-phenylethanoylamino)propanoyl]amino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[(2S)-2-[(2-phenylacetyl)amino]propanoyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[(2S)-1-oxo-2-[(1-oxo-2-phenylethyl)amino]propyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(2S)-2-[(2-phenylacetyl)amino]propanoyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[(2S)-2-[(2-phenylacetyl)amino]propanoyl]amino]valeric acid methyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-12(2)10-15(18(23)24-4)20-17(22)13(3)19-16(21)11-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,19,21)(H,20,22)/t13-,15-/m0/s1