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

Systemtic Name: (2S)-2-[[(2S)-2-(2-azaniumylethanoylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[(2-ammonio-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[(2-ammonioacetyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-valerate Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH3+]

InChI

InChI=1S/C17H25N3O4/c1-11(2)8-14(17(23)24)20-16(22)13(19-15(21)10-18)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t13-,14-/m0/s1