343

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


Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-TYROSYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]OXY}ACETIC ACID
Identifiers(2S)-2-(3-carbamimidamidophenyl)-2-[hydroxy-[(1R)-1-[[(2S)-3-(4-hydroxyphenyl)-2-phenylmethoxycarbonylamino-propanoyl]amino]-2-methyl-propyl]phosphoryl]oxy-ethanoic acid
FormulaC30 H36 N5 O9 P
Molecular Weight641.609
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)[C@H](Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O
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

Chemical Details

Formal Charge0
Atom Count81
Chiral Atom Count4
Bond Count83
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 23653513