N(alpha)-Acetylasparaginyl-Lysyl-N(epsilon)-4-Azidobenzoyl-Threoninamide
[CAS# 97530-18-2]

Identification

• Name: N(alpha)-Acetylasparaginyl-Lysyl-N(epsilon)-4-Azidobenzoyl-Threoninamide
• Synonyms: (2R)-2-Acetamido-N-[(1S)-5-[(4-Azidobenzoyl)Amino]-1-[[(1R,2R)-1-Carbamoyl-2-Hydroxy-Propyl]Carbamoyl]Pentyl]Butanediamide; (2R)-2-Acetamido-N-[(1S)-5-[[(4-Azidophenyl)-Oxomethyl]Amino]-1-[[[(1R,2R)-1-Carbamoyl-2-Hydroxypropyl]Amino]-Oxomethyl]Pentyl]Butan
• Molecular Formula: C₂₃H₃₃N₉O₇
• Molecular Weight: 547.57
• CAS Registry Number: 97530-18-2
• SMILES: [C@@H](CCCCNC(C1=CC=C(C=C1)N=[N+]=[N-])=O)(NC([C@H](NC(C)=O)CC(N)=O)=O)C(=O)N[C@H]([C@@H](C)O)C(=O)N
• InChI: 1S/C23H33N9O7/c1-12(33)19(20(25)36)30-22(38)16(29-23(39)17(11-18(24)35)28-13(2)34)5-3-4-10-27-21(37)14-6-8-15(9-7-14)31-32-26/h6-9,12,16-17,19,33H,3-5,10-11H2,1-2H3,(H2,24,35)(H2,25,36)(H,27,37)(H,28,34)(H,29,39)(H,30,38)/t12-,16+,17-,19-/m1/s1
• InChIKey: QLCMFDLDNPHPAM-UMBPUVEWSA-N