Netamiftide
[CAS# 204992-09-6]

Identification

• Name: Netamiftide
• Synonyms: (2S)-N-[(1S)-1-[[2-[[(1S)-2-[[(2S)-2-Amino-3-(4-Fluorophenyl)Propanoyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-4-Guanidino-Butyl]-4-Hydroxy-Pyrrolidine-2-Carboxamide; 2,2,2-Trifluoroacetic Acid; (2S)-N-[(1S)-1-[[[2-[[(1S)-2-[[(2S)-2-Amino-3-(4-Fluorophenyl)-1-Oxopropyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]-4-Hydroxy-2-Pyrrolidinecarboxamide; 2,2,2-Trifluoroacetic Acid; (2S)-N-[(1S)-1-[[2-[[(1S)-2-[[(2S)-2-Amino-3-(4-Fluorophenyl)Propanoyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]-4-Hydroxy-Pyrrolidine-2-Carboxamide; 2,2,2-Trifluoroacetic Acid
• Molecular Formula: C₃₇H₄₅F₇N₁₀O₁₀
• Molecular Weight: 922.81
• CAS Registry Number: 204992-09-6
• SMILES: [C@@H]1(NCC(O)C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC(=O)[C@@H](N)CC4=CC=C(F)C=C4.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: 1S/C33H43FN10O6.2C2HF3O2/c34-20-9-7-18(8-10-20)12-23(35)29(47)44-32(50)27(13-19-15-39-24-5-2-1-4-22(19)24)42-28(46)17-41-30(48)25(6-3-11-38-33(36)37)43-31(49)26-14-21(45)16-40-26;2*3-2(4,5)1(6)7/h1-2,4-5,7-10,15,21,23,25-27,39-40,45H,3,6,11-14,16-17,35H2,(H,41,48)(H,42,46)(H,43,49)(H4,36,37,38)(H,44,47,50);2*(H,6,7)/t21?,23-,25-,26-,27-;;/m0../s1
• InChIKey: VWOPZQHMHOALRC-AEKFFBGNSA-N