2-[2-[2-azanyl-1,1-bis(oxidanyl)-2-oxidanylidene-ethyl]pent-4-ynoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[2-azanyl-1,1-bis(oxidanyl)-2-oxidanylidene-ethyl]pent-4-ynoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-(2-amino-1,1-dihydroxy-2-oxo-ethyl)pent-4-ynoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(2-amino-1,1-dihydroxy-2-oxoethyl)-1-oxopent-4-ynyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-(2-amino-1,1-dihydroxy-2-oxoethyl)pent-4-ynoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-(2-amino-1,1-dihydroxy-2-keto-ethyl)pent-4-ynoylamino]-3-phenyl-propionic acid Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)C(C(=O)N)(O)O

Isomeric SMILES

C#CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)C(C(=O)N)(O)O

InChI

InChI=1S/C16H18N2O6/c1-2-6-11(16(23,24)15(17)22)13(19)18-12(14(20)21)9-10-7-4-3-5-8-10/h1,3-5,7-8,11-12,23-24H,6,9H2,(H2,17,22)(H,18,19)(H,20,21)