methyl (2S)-2-[[(2S)-2-acetamido-3-(2-azanyl-5-oxidanyl-phenyl)propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-acetamido-3-(2-azanyl-5-oxidanyl-phenyl)propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-acetamido-3-(2-amino-5-hydroxy-phenyl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-3-(2-amino-5-hydroxyphenyl)-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-acetamido-3-(2-amino-5-hydroxyphenyl)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-(2-amino-5-hydroxy-phenyl)propanoyl]amino]propionic acid methyl ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-8(15(22)23-3)17-14(21)13(18-9(2)19)7-10-6-11(20)4-5-12(10)16/h4-6,8,13,20H,7,16H2,1-3H3,(H,17,21)(H,18,19)/t8-,13-/m0/s1