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CHEBI:39884 - (2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-TYROSYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]OXY}ACETIC ACID

Default Structure
ChEBI IDCHEBI:39884
ChEBI Name(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-TYROSYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]OXY}ACETIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H36N5O9P
Net Charge0
Average Mass641.618
Monoisotopic Mass641.22506
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])(N([H])C(=O)OC([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)O[H])c1[H]
InChIInChI=1S/C30H36N5O9P/c1-18(2)27(45(41,42)44-25(28(38)39)21-9-6-10-22(16-21)33-29(31)32)35-26(37)24(15-19-11-13-23(36)14-12-19)34-30(40)43-17-20-7-4-3-5-8-20/h3-14,16,18,24-25,27,36H,15,17H2,1-2H3,(H,34,40)(H,35,37)(H,38,39)(H,41,42)(H4,31,32,33)/t24-,25-,27+/m0/s1
InChIKeyYRZNVYCMTZKRPJ-OHSXHVKISA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-TYROSYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]OXY}ACETIC ACID (CHEBI:39884) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-TYROSYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]OXY}ACETIC ACIDPDBeChem
(2S)-{[(S)-[(1R)-1-({N-[(benzyloxy)carbonyl]-L-tyrosyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}(3-carbamimidamidophenyl)ethanoic acidPDBeChem
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