86A

(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID


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Chemical Component Summary

Name(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID
Identifiers(2S)-2-(3-carbamimidamidophenyl)-2-[hydroxy-[(1R)-2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-ethanoic acid
FormulaC22 H29 N4 O6 P
Molecular Weight476.463
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)CCc2ccccc2)O
InChIInChI=1S/C22H29N4O6P/c1-14(2)20(26-18(27)12-11-15-7-4-3-5-8-15)33(30,31)32-19(21(28)29)16-9-6-10-17(13-16)25-22(23)24/h3-10,13-14,19-20H,11-12H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)(H4,23,24,25)/t19-,20+/m0/s1
InChIKeyFCWKSOJGKKFIAW-VQTJNVASSA-N

Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count3
Bond Count63
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 23653504