Butyloxycarbonyl-Tryptophyl-Leucyl-Aspartyl-Phenylalaninamide
[CAS# 17554-05-1]

Identification

• Name: Butyloxycarbonyl-Tryptophyl-Leucyl-Aspartyl-Phenylalaninamide
• Synonyms: (3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-[[(1S)-2-(Butoxycarbonylamino)-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-4-[[(1S)-2-[(Butoxy-Oxomethyl)Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-[[(1S)-1-(Benzyl)-2-(Butoxycarbonylamino)-2-Keto-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₅H₄₆N₆O₈
• Molecular Weight: 678.78
• CAS Registry Number: 17554-05-1
• SMILES: [C@H](C(=O)NC(=O)OCCCC)(NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=C[NH]C2=CC=CC=C12)=O)CC(C)C)=O)CC(=O)O)=O)CC3=CC=CC=C3
• InChI: 1S/C35H46N6O8/c1-4-5-15-49-35(48)41-34(47)28(17-22-11-7-6-8-12-22)39-33(46)29(19-30(42)43)40-32(45)27(16-21(2)3)38-31(44)25(36)18-23-20-37-26-14-10-9-13-24(23)26/h6-14,20-21,25,27-29,37H,4-5,15-19,36H2,1-3H3,(H,38,44)(H,39,46)(H,40,45)(H,42,43)(H,41,47,48)/t25-,27-,28-,29-/m0/s1
• InChIKey: VNEOHNUYPRAJMX-AMEOFWRWSA-N

Properties

• Density: 1.265g/cm³ (Cal.)