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CHEBI:39810 - (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID

Default Structure
ChEBI IDCHEBI:39810
ChEBI Name(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC31H38N5O7P
Net Charge0
Average Mass623.647
Monoisotopic Mass623.25089
SMILES[H]/N=C(/N([H])[H])N([H])c1c([H])c([H])c([H])c([C@@]([H])(C(=O)O[H])C([H])([H])[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([H])c([H])c2[H])C([H])(C([H])([H])[H])C([H])([H])[H])c1[H]
InChIInChI=1S/C31H38N5O7P/c1-20(2)28(44(41,42)19-25(29(38)39)23-14-9-15-24(17-23)34-30(32)33)36-27(37)26(16-21-10-5-3-6-11-21)35-31(40)43-18-22-12-7-4-8-13-22/h3-15,17,20,25-26,28H,16,18-19H2,1-2H3,(H,35,40)(H,36,37)(H,38,39)(H,41,42)(H4,32,33,34)/t25-,26-,28+/m0/s1
InChIKeySYQCJJZICSZGRU-UNCTUWKVSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID (CHEBI:39810) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACIDPDBeChem
(2S)-3-[(R)-[(1R)-1-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]-2-(3-carbamimidamidophenyl)propanoic acidPDBeChem
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