(2S)-2-[2-(2-azanylethanoylamino)ethanoylamino]propanamide; ethanoic acid; hydrate

Systemtic Name: (2S)-2-[2-(2-azanylethanoylamino)ethanoylamino]propanamide; ethanoic acid; hydrate Openeye Name: acetic acid; (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanamide; hydrate CAS Name: acetic acid; (2S)-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]propanamide; hydrate IUPAC Name: acetic acid; (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanamide; hydrate Traditional Name: acetic acid; (2S)-2-[[2-(glycylamino)acetyl]amino]propionamide; hydrate Formula: C18H38N8O11 MolecularWeight: 542.54132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)CNC(=O)CN.CC(C(=O)N)NC(=O)CNC(=O)CN.CC(=O)O.CC(=O)O.O

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)CNC(=O)CN.C[C@@H](C(=O)N)NC(=O)CNC(=O)CN.CC(=O)O.CC(=O)O.O

InChI

InChI=1S/2C7H14N4O3.2C2H4O2.H2O/c2*1-4(7(9)14)11-6(13)3-10-5(12)2-8;2*1-2(3)4;/h2*4H,2-3,8H2,1H3,(H2,9,14)(H,10,12)(H,11,13);2*1H3,(H,3,4);1H2/t2*4-;;;/m00.../s1