(2R,3S)-3-[(1-methylcyclohexyl)oxycarbonylamino]-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: (2R,3S)-3-[(1-methylcyclohexyl)oxycarbonylamino]-2-oxidanyl-3-phenyl-propanoate Openeye Name: (2R,3S)-2-hydroxy-3-[(1-methylcyclohexoxy)carbonylamino]-3-phenyl-propanoate CAS Name: (2R,3S)-2-hydroxy-3-[[(1-methylcyclohexyl)oxy-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2R,3S)-2-hydroxy-3-[(1-methylcyclohexyl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2R,3S)-2-hydroxy-3-[(1-methylcyclohexoxy)carbonylamino]-3-phenyl-propionate Formula: C17H22NO5- MolecularWeight: 320.36028

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)OC(=O)NC(C2=CC=CC=C2)C(C(=O)[O-])O

Isomeric SMILES

CC1(CCCCC1)OC(=O)N[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])O

InChI

InChI=1S/C17H23NO5/c1-17(10-6-3-7-11-17)23-16(22)18-13(14(19)15(20)21)12-8-4-2-5-9-12/h2,4-5,8-9,13-14,19H,3,6-7,10-11H2,1H3,(H,18,22)(H,20,21)/p-1/t13-,14+/m0/s1