3-[[(2S)-2-azanylpropanoyl]-(phenylmethyl)amino]-4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[(2S)-2-azanylpropanoyl]-(phenylmethyl)amino]-4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanoic acid Openeye Name: 3-[[(2S)-2-aminopropanoyl]-benzyl-amino]-4-methoxy-2-methoxycarbonyl-4-oxo-butanoic acid CAS Name: 3-[[(2S)-2-amino-1-oxopropyl]-(phenylmethyl)amino]-4-methoxy-2-methoxycarbonyl-4-oxobutanoic acid IUPAC Name: 3-[[(2S)-2-aminopropanoyl]-benzylamino]-4-methoxy-2-methoxycarbonyl-4-oxobutanoic acid Traditional Name: 3-[[(2S)-2-aminopropanoyl]-benzyl-amino]-2-carbomethoxy-4-keto-4-methoxy-butyric acid Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O7/c1-10(18)14(20)19(9-11-7-5-4-6-8-11)13(17(24)26-3)12(15(21)22)16(23)25-2/h4-8,10,12-13H,9,18H2,1-3H3,(H,21,22)/t10-,12?,13?/m0/s1