ethanoic acid; methyl (2S)-2-[[(2S)-2-acetamido-5-azanyl-pentanoyl]amino]propanoate

Systemtic Name: ethanoic acid; methyl (2S)-2-[[(2S)-2-acetamido-5-azanyl-pentanoyl]amino]propanoate Openeye Name: acetic acid; methyl (2S)-2-[[(2S)-2-acetamido-5-amino-pentanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-5-amino-1-oxopentyl]amino]propanoic acid methyl ester; acetic acid IUPAC Name: acetic acid; methyl (2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-5-amino-pentanoyl]amino]propionic acid methyl ester; acetic acid Formula: C13H25N3O6 MolecularWeight: 319.3541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C(CCCN)NC(=O)C.CC(=O)O

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@H](CCCN)NC(=O)C.CC(=O)O

InChI

InChI=1S/C11H21N3O4.C2H4O2/c1-7(11(17)18-3)13-10(16)9(5-4-6-12)14-8(2)15;1-2(3)4/h7,9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15);1H3,(H,3,4)/t7-,9-;/m0./s1