Seglitide
[CAS# 81377-02-8]

Identification

• Name: Seglitide
• Synonyms: (2S)-6-Amino-N-[(1S)-1-[[(1S)-1-Formyl-2-Phenyl-Ethyl]Carbamoyl]-2-Methyl-Propyl]-2-[[(2R)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-2-(Methyleneamino)Propanoyl]Amino]Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanamide; (2S)-6-Amino-N-[(1S)-1-[[[(1S)-1-Formyl-2-Phenylethyl]Amino]-Oxomethyl]-2-Methylpropyl]-2-[[(2R)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-2-(Methyleneamino)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]Hexanamide; (2S)-6-Amino-N-[(1S)-1-[[(1S)-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]-2-[[(2R)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-2-(Methyleneamino)Propanoyl]Amino]Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanamide
• Molecular Formula: C₄₄H₅₆N₈O₇
• Molecular Weight: 808.98
• CAS Registry Number: 81377-02-8
• SMILES: [C@H](C=O)(NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](N=C)C)=O)CC1=CC=C(O)C=C1)=O)CC2=C[NH]C3=CC=CC=C23)=O)CCCCN)=O)C(C)C)=O)CC4=CC=CC=C4
• InChI: 1S/C44H56N8O7/c1-27(2)39(44(59)48-32(26-53)22-29-12-6-5-7-13-29)52-41(56)36(16-10-11-21-45)49-43(58)38(24-31-25-47-35-15-9-8-14-34(31)35)51-42(57)37(50-40(55)28(3)46-4)23-30-17-19-33(54)20-18-30/h5-9,12-15,17-20,25-28,32,36-39,47,54H,4,10-11,16,21-24,45H2,1-3H3,(H,48,59)(H,49,58)(H,50,55)(H,51,57)(H,52,56)/t28-,32-,36-,37-,38+,39-/m0/s1
• InChIKey: AGPBDTZFIQXTPB-LPVZYQQFSA-N

Properties

• Density: 1.281g/cm³ (Cal.)