11B

(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-3-OXO-5-PENTYL-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-3-OXO-5-PENTYL-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
Identifiers(2S)-2-(3-carbamimidamidophenyl)-2-[hydroxy-[(1R)-1-phenylmethoxycarbonylaminohexyl]phosphoryl]oxy-ethanoic acid
FormulaC23 H31 N4 O7 P
Molecular Weight506.489
TypeNON-POLYMER
Isomeric SMILES[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](CCCCC)NC(=O)OCc2ccccc2)O
InChIInChI=1S/C23H31N4O7P/c1-2-3-5-13-19(27-23(30)33-15-16-9-6-4-7-10-16)35(31,32)34-20(21(28)29)17-11-8-12-18(14-17)26-22(24)25/h4,6-12,14,19-20H,2-3,5,13,15H2,1H3,(H,27,30)(H,28,29)(H,31,32)(H4,24,25,26)/t19-,20+/m1/s1
InChIKeyXFGOBDZHGXXQBF-UXHICEINSA-N

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count3
Bond Count67
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 23653506