methyl (2S)-2-[[(2S,3R)-2-azanyl-3-methyl-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S,3R)-2-azanyl-3-methyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S,3R)-2-amino-3-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S,3R)-2-amino-3-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3R)-2-amino-3-methylpentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S,3R)-2-amino-3-methyl-pentanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-4-11(2)14(17)15(19)18-13(16(20)21-3)10-12-8-6-5-7-9-12/h5-9,11,13-14H,4,10,17H2,1-3H3,(H,18,19)/t11-,13+,14+/m1/s1