(phenylmethyl) (2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-methyl-butanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-methyl-butanoyl]amino]propanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methyl-butanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-methyl-1-oxobutyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-(glycylamino)-3-methyl-butanoyl]amino]propionic acid benzyl ester Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)OCC1=CC=CC=C1)NC(=O)CN

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)CN

InChI

InChI=1S/C17H25N3O4/c1-11(2)15(20-14(21)9-18)16(22)19-12(3)17(23)24-10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10,18H2,1-3H3,(H,19,22)(H,20,21)/t12-,15-/m0/s1