N-Formyl-methionylleucyl-phenylalanyl-N(epsilon)-(2-(4-azidosalicylamido)ethyl-1,3'-dithiopropionyl)lysine
[CAS# 104234-99-3]

Identification

• Name: N-Formyl-methionylleucyl-phenylalanyl-N(epsilon)-(2-(4-azidosalicylamido)ethyl-1,3'-dithiopropionyl)lysine
• Synonyms: (2S)-6-[3-[2-[(4-Azido-2-Hydroxy-Benzoyl)Amino]Ethyldisulfanyl]Propanoylamino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Formamido-4-Methylsulfanyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Hexanoic Acid; (2S)-6-[[3-[2-[[(4-Azido-2-Hydroxyphenyl)-Oxomethyl]Amino]Ethyldisulfanyl]-1-Oxopropyl]Amino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Formamido-4-(Methylthio)-1-Oxobutyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Hexanoic Acid; (2S)-6-[3-[2-[(4-Azido-2-Hydroxy-Benzoyl)Amino]Ethyldisulfanyl]Propanoylamino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Formamido-4-(Methylthio)Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Hexanoic Acid
• Molecular Formula: C₃₉H₅₅N₉O₉S₃
• Molecular Weight: 890.10
• CAS Registry Number: 104234-99-3
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC=O)CCSC)=O)CC(C)C)=O)CC1=CC=CC=C1)=O)CCCCNC(CCSSCCNC(C2=CC=C(C=C2O)N=[N+]=[N-])=O)=O
• InChI: 1S/C39H55N9O9S3/c1-25(2)21-31(45-36(53)29(43-24-49)14-18-58-3)37(54)46-32(22-26-9-5-4-6-10-26)38(55)44-30(39(56)57)11-7-8-16-41-34(51)15-19-59-60-20-17-42-35(52)28-13-12-27(47-48-40)23-33(28)50/h4-6,9-10,12-13,23-25,29-32,50H,7-8,11,14-22H2,1-3H3,(H,41,51)(H,42,52)(H,43,49)(H,44,55)(H,45,53)(H,46,54)(H,56,57)/t29-,30-,31-,32-/m0/s1
• InChIKey: GXPKVLSZDUGLIV-YDPTYEFTSA-N