Cyclo(3-sulfo-D-alanyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl)
[CAS# 139346-17-1]

Identification

• Name: Cyclo(3-sulfo-D-alanyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl)
• Synonyms: (2S)-2-Amino-3-[(2S)-2-[[(1R)-1-[[(1S)-1-[[(1R)-1-Formyl-2-(1H-Indol-3-Yl)Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-2,5-Dihydropyrrol-1-Yl]-3-Oxo-Propane-1-Sulfonic Acid; (2S)-2-Amino-3-[(2S)-2-[[[(1R)-1-[[[(1S)-1-[[[(1R)-1-Formyl-2-(1H-Indol-3-Yl)Ethyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]-2,5-Dihydropyrrol-1-Yl]-3-Oxopropane-1-Sulfonic Acid; (2S)-2-Amino-3-[(2S)-2-[[(1R)-1-[[(1S)-1-[[(1R)-1-Formyl-2-(1H-Indol-3-Yl)Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-3-Pyrrolin-1-Yl]-3-Keto-Propane-1-Sulfonic Acid
• Molecular Formula: C₃₀H₄₂N₆O₈S
• Molecular Weight: 646.76
• CAS Registry Number: 139346-17-1
• SMILES: [C@@H](C=O)(NC([C@@H](NC([C@H](NC([C@H]1N(CC=C1)C([C@H](N)C[S](=O)(=O)O)=O)=O)C(C)C)=O)CC(C)C)=O)CC2=C[NH]C3=CC=CC=C23
• InChI: 1S/C30H42N6O8S/c1-17(2)12-24(27(38)33-20(15-37)13-19-14-32-23-9-6-5-8-21(19)23)34-29(40)26(18(3)4)35-28(39)25-10-7-11-36(25)30(41)22(31)16-45(42,43)44/h5-10,14-15,17-18,20,22,24-26,32H,11-13,16,31H2,1-4H3,(H,33,38)(H,34,40)(H,35,39)(H,42,43,44)/t20-,22-,24+,25+,26-/m1/s1
• InChIKey: HYNSSBPBTFFZKW-OUPFVLIJSA-N

Properties

• Density: 1.341g/cm³ (Cal.)