2-[[(2R,3S)-3-azanyl-4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanoyl]-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[(2R,3S)-3-azanyl-4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanoyl]-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[[(2R,3S)-3-amino-4-methoxy-2-methoxycarbonyl-4-oxo-butanoyl]-benzyl-amino]acetic acid CAS Name: 2-[[(2R,3S)-3-amino-4-methoxy-2-methoxycarbonyl-1,4-dioxobutyl]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[[(2R,3S)-3-amino-4-methoxy-2-methoxycarbonyl-4-oxobutanoyl]-benzylamino]acetic acid Traditional Name: 2-[[(2R,3S)-3-amino-2-carbomethoxy-4-keto-4-methoxy-butanoyl]-benzyl-amino]acetic acid Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-24-15(22)12(13(17)16(23)25-2)14(21)18(9-11(19)20)8-10-6-4-3-5-7-10/h3-7,12-13H,8-9,17H2,1-2H3,(H,19,20)/t12-,13+/m1/s1