(3S)-3-[[(1S)-1-Carbamoyl-2-Phenyl-Ethyl]Carbamoyl]-3-[[(2S)-2-[[(2S)- 3-(1H-Indol-3-Yl)-2-[[2-(Tert-Butoxycarbonylamino)Oxyacetyl]Amino]Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]Propanoic Acid
[CAS# 68172-06-5]

Identification

• Name: (3S)-3-[[(1S)-1-Carbamoyl-2-Phenyl-Ethyl]Carbamoyl]-3-[[(2S)-2-[[(2S)- 3-(1H-Indol-3-Yl)-2-[[2-(Tert-Butoxycarbonylamino)Oxyacetyl]Amino]Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]Propanoic Acid
• Synonyms: (3S)-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[2-(Tert-Butoxycarbonylamino)Oxyacetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[2-[(Tert-Butoxy-Oxomethyl)Amino]Oxy-1-Oxoethyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[2-(Tert-Butoxycarbonylamino)Oxyacetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₆H₄₇N₇O₁₀S
• Molecular Weight: 769.87
• CAS Registry Number: 68172-06-5
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)CONC(=O)OC(C)(C)C)CC1=C[NH]C2=CC=CC=C12)=O)CCSC)=O)CC(=O)O)=O)CC3=CC=CC=C3
• InChIKey: GZDRRVJMVOOATR-LJWNLINESA-N

Properties

• Density: 1.33g/cm³ (Cal.)