(2S)-N-[(2S)-1-[[(2S,3R)-1-Amino-3-Hydroxy-1-Oxobutan-2-Yl]Amino]-6-[(4-Azidobenzoyl)Amino]-1-Oxohexan-2-Yl]-2-[3-(4-Hydroxyphenyl)Propanoylamino]Butanediamide
[CAS# 102604-64-8]

Identification

• Name: (2S)-N-[(2S)-1-[[(2S,3R)-1-Amino-3-Hydroxy-1-Oxobutan-2-Yl]Amino]-6-[(4-Azidobenzoyl)Amino]-1-Oxohexan-2-Yl]-2-[3-(4-Hydroxyphenyl)Propanoylamino]Butanediamide
• Synonyms: (2S)-N-[(1S)-5-[(4-Azidobenzoyl)Amino]-1-[[(1S,2R)-1-Carbamoyl-2-Hydroxy-Propyl]Carbamoyl]Pentyl]-2-[3-(4-Hydroxyphenyl)Propanoylamino]Butanediamide; (2S)-N-[(1S)-5-[[(4-Azidophenyl)-Oxomethyl]Amino]-1-[[[(1S,2R)-1-Carbamoyl-2-Hydroxypropyl]Amino]-Oxomethyl]Pentyl]-2-[[3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]Butanediamide; (2S)-N-[(1S)-5-[(4-Azidobenzoyl)Amino]-1-[[(1S,2R)-1-Carbamoyl-2-Hydroxy-Propyl]Carbamoyl]Pentyl]-2-[3-(4-Hydroxyphenyl)Propanoylamino]Succinamide
• Molecular Formula: C₃₀H₃₉N₉O₈
• Molecular Weight: 653.69
• CAS Registry Number: 102604-64-8
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC(CCC1=CC=C(C=C1)O)=O)CC(=O)N)=O)CCCCNC(C2=CC=C(C=C2)N=[N+]=[N-])=O)=O)[C@@H](C)O
• InChI: 1S/C30H39N9O8/c1-17(40)26(27(32)44)37-29(46)22(4-2-3-15-34-28(45)19-8-10-20(11-9-19)38-39-33)36-30(47)23(16-24(31)42)35-25(43)14-7-18-5-12-21(41)13-6-18/h5-6,8-13,17,22-23,26,40-41H,2-4,7,14-16H2,1H3,(H2,31,42)(H2,32,44)(H,34,45)(H,35,43)(H,36,47)(H,37,46)/t17-,22+,23+,26+/m1/s1
• InChIKey: BRYYHCYDDZMVNH-GAVSWZITSA-N