(3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-5-fluoranyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-5-fluoranyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-(benzyloxycarbonylamino)-5-fluoro-pentanoyl]amino]-2,3,4,6-tetrahydroxy-hexanoyl]amino]-3-phenyl-propanoic acid CAS Name: (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-5-fluoro-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2,3,4,6-tetrahydroxy-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-5-fluoro-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid Traditional Name: (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-(benzyloxycarbonylamino)-5-fluoro-pentanoyl]amino]-2,3,4,6-tetrahydroxy-hexanoyl]amino]-3-phenyl-propionic acid Formula: C28H36FN3O10 MolecularWeight: 593.597943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCF)C(=O)NC(CO)C(C(C(C(=O)NC(CC(=O)O)C2=CC=CC=C2)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCF)C(=O)N[C@@H](CO)[C@H]([C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C2=CC=CC=C2)O)O)O

InChI

InChI=1S/C28H36FN3O10/c29-13-7-12-19(32-28(41)42-16-17-8-3-1-4-9-17)26(39)31-21(15-33)23(36)24(37)25(38)27(40)30-20(14-22(34)35)18-10-5-2-6-11-18/h1-6,8-11,19-21,23-25,33,36-38H,7,12-16H2,(H,30,40)(H,31,39)(H,32,41)(H,34,35)/t19-,20-,21-,23+,24+,25-/m0/s1