(2S)-2-Amino-N-[(2R)-1-[[2-[[(2S)-3-(4-azidophenyl)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide 2,2,2-trifluoroacetic acid
[CAS# 95537-14-7]

Identification

• Name: (2S)-2-Amino-N-[(2R)-1-[[2-[[(2S)-3-(4-azidophenyl)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide 2,2,2-trifluoroacetic acid
• Synonyms: (2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-Methyl-Amino]-3-(4-Azidophenyl)-N-(2-Hydroxyethyl)Propanamide; 2,2,2-Trifluoroacetic Acid; (2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amin
• Molecular Formula: C₂₈H₃₅F₃N₈O₈
• Molecular Weight: 668.63
• CAS Registry Number: 95537-14-7
• SMILES: [N+](=NC2=CC=C(C[C@H](N(C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)C)C(=O)NCCO)C=C2)=[N-].O=C(O)C(F)(F)F
• InChI: 1S/C26H34N8O6.C2HF3O2/c1-16(31-25(39)21(27)13-17-5-9-20(36)10-6-17)24(38)30-15-23(37)34(2)22(26(40)29-11-12-35)14-18-3-7-19(8-4-18)32-33-28;3-2(4,5)1(6)7/h3-10,16,21-22,35-36H,11-15,27H2,1-2H3,(H,29,40)(H,30,38)(H,31,39);(H,6,7)/t16-,21+,22+;/m1./s1
• InChIKey: CKXCGKQTDHGSLL-UTUAMNFXSA-N