(3S)-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-3-(3-oxidanylidenebutanoylamino)butanoic acid

Systemtic Name: (3S)-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-3-(3-oxidanylidenebutanoylamino)butanoic acid Openeye Name: (3S)-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-3-(3-oxobutanoylamino)butanoic acid CAS Name: (3S)-3-(1,3-dioxobutylamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-(3-oxobutanoylamino)butanoic acid Traditional Name: (3S)-3-(acetoacetylamino)-4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-4-keto-butyric acid Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7/c1-11(21)8-15(22)19-13(10-16(23)24)17(25)20-14(18(26)27-2)9-12-6-4-3-5-7-12/h3-7,13-14H,8-10H2,1-2H3,(H,19,22)(H,20,25)(H,23,24)/t13-,14-/m0/s1