(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid hydrate

Systemtic Name: (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid hydrate Openeye Name: (2S,3S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoic acid hydrate CAS Name: (2S,3S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid hydrate IUPAC Name: (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid hydrate Traditional Name: (2S,3S)-2-(tert-butoxycarbonylamino)-3-methyl-valeric acid hydrate Formula: C22H44N2O9 MolecularWeight: 480.59276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C.CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C.O

Isomeric SMILES

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

InChI

InChI=1S/2C11H21NO4.H2O/c2*1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;/h2*7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t2*7-,8-;/m00./s1