922

(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE


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Chemical Component Summary

Name(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
Identifiers(2S)-2-(3-carbamimidamidophenyl)-2-[hydroxy-[(1R)-2-methyl-1-phenylmethoxycarbonylamino-propyl]phosphoryl]oxy-ethanoic acid
FormulaC21 H27 N4 O7 P
Molecular Weight478.435
TypeNON-POLYMER
Isomeric SMILES[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)OCc2ccccc2)O
InChIInChI=1S/C21H27N4O7P/c1-13(2)18(25-21(28)31-12-14-7-4-3-5-8-14)33(29,30)32-17(19(26)27)15-9-6-10-16(11-15)24-20(22)23/h3-11,13,17-18H,12H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)(H4,22,23,24)/t17-,18+/m0/s1
InChIKeyMGJJGNQEZQSCJT-ZWKOTPCHSA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count3
Bond Count61
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 23653501