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CHEBI:40313 - (2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID

Default Structure
ChEBI IDCHEBI:40313
ChEBI Name(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H29N4O6P
Net Charge0
Average Mass476.470
Monoisotopic Mass476.18247
SMILES[H]/N=C(/N([H])[H])N([H])c1c([H])c([H])c([H])c([C@]([H])(O[P@@](=O)(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)O[H])c1[H]
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
ChEBI Ontology
Outgoing Relation(s)
(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID (CHEBI:40313) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACIDPDBeChem
(2S)-(3-carbamimidamidophenyl){[(S)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]oxy}ethanoic acidPDBeChem
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