(2S)-2,5-bis(azanyl)-N-[1-[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]pentanamide

Systemtic Name: (2S)-2,5-bis(azanyl)-N-[1-[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]pentanamide Openeye Name: (2S)-2,5-diamino-N-[2-(4-benzyloxyanilino)-1-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-oxo-ethyl]pentanamide CAS Name: (2S)-2,5-diamino-N-[1-[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-2-oxo-2-(4-phenylmethoxyanilino)ethyl]pentanamide IUPAC Name: (2S)-2,5-diamino-N-[1-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxo-2-(4-phenylmethoxyanilino)ethyl]pentanamide Traditional Name: (2S)-2,5-diamino-N-[2-(4-benzoxyanilino)-1-[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-keto-ethyl]valeramide Formula: C28H34N6O8 MolecularWeight: 582.60496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)[C@H](CCCN)N

InChI

InChI=1S/C28H34N6O8/c29-13-4-7-19(30)25(38)33-21(24-22(36)23(37)27(42-24)34-14-12-20(35)32-28(34)40)26(39)31-17-8-10-18(11-9-17)41-15-16-5-2-1-3-6-16/h1-3,5-6,8-12,14,19,21-24,27,36-37H,4,7,13,15,29-30H2,(H,31,39)(H,33,38)(H,32,35,40)/t19-,21?,22-,23+,24+,27+/m0/s1