(2S)-6-Amino-N-[(2S,3R)-3-Hydroxy-1-Oxobutan-2-Yl]-2-[[(2R)-3-(1H-Indol-3-Yl)-2-[[(2S)-2-[[2-(3-Methanimidoylphenyl)Acetyl]Amino]-3-Phenylpropanoyl]Amino]Propanoyl]Amino]Hexanamide
[CAS# 111010-99-2]

Identification

• Name: (2S)-6-Amino-N-[(2S,3R)-3-Hydroxy-1-Oxobutan-2-Yl]-2-[[(2R)-3-(1H-Indol-3-Yl)-2-[[(2S)-2-[[2-(3-Methanimidoylphenyl)Acetyl]Amino]-3-Phenylpropanoyl]Amino]Propanoyl]Amino]Hexanamide
• Synonyms: (2S)-6-Amino-N-[(1S,2R)-1-Formyl-2-Hydroxy-Propyl]-2-[[(2R)-3-(1H-Indol-3-Yl)-2-[[(2S)-2-[[2-(3-Methanimidoylphenyl)Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]Propanoyl]Amino]Hexanamide; (2S)-6-Amino-N-[(1S,2R)-1-Formyl-2-Hydroxypropyl]-2-[[(2R)-3-(1H-Indol-3-Yl)-2-[[(2S)-2-[[2-(3-Methanimidoylphenyl)-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxopropyl]Amino]Hexanamide; (2S)-6-Amino-2-[[(2R)-2-[[(2S)-2-[[2-(3-Formimidoylphenyl)Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-N-[(1S,2R)-1-Formyl-2-Hydroxy-Propyl]Hexanamide
• Molecular Formula: C₃₉H₄₇N₇O₆
• Molecular Weight: 709.84
• CAS Registry Number: 111010-99-2
• SMILES: [C@H](C=O)(NC([C@@H](NC([C@H](NC([C@@H](NC(=O)CC1=CC=CC(=C1)C=N)CC2=CC=CC=C2)=O)CC3=C[NH]C4=CC=CC=C34)=O)CCCCN)=O)[C@@H](C)O
• InChI: 1S/C39H47N7O6/c1-25(48)35(24-47)46-37(50)32(16-7-8-17-40)44-39(52)34(21-29-23-42-31-15-6-5-14-30(29)31)45-38(51)33(19-26-10-3-2-4-11-26)43-36(49)20-27-12-9-13-28(18-27)22-41/h2-6,9-15,18,22-25,32-35,41-42,48H,7-8,16-17,19-21,40H2,1H3,(H,43,49)(H,44,52)(H,45,51)(H,46,50)/t25-,32+,33+,34-,35-/m1/s1
• InChIKey: SZSOLKLNHGLHNG-NYHWNOQPSA-N