Leucyl-valyl-valyl-tyrosyl-prolyl-tryptophyl-threonine
[CAS# 137201-62-8]

Identification

• Name: Leucyl-valyl-valyl-tyrosyl-prolyl-tryptophyl-threonine
• Synonyms: (2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Hydroxy-Butanoic Acid; (2S,3R)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Methyl-1-Oxopentyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-3-Hydroxybutanoic Acid; (2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Hydroxy-Butyric Acid
• Molecular Formula: C₄₅H₆₄N₈O₁₀
• Molecular Weight: 877.05
• CAS Registry Number: 137201-62-8
• SMILES: [C@@H]2(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)CC1=CC=C(O)C=C1)CCC2)C(=O)N[C@@H](CC3=C[NH]C4=C3C=CC=C4)C(=O)N[C@H](C(=O)O)[C@H](O)C
• InChI: 1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)21-28-22-47-32-12-9-8-11-30(28)32/h8-9,11-12,14-17,22-26,31,33-38,47,54-55H,10,13,18-21,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1
• InChIKey: BXIFNVGZIMFBQB-DYDSHOKNSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 1256.298°C at 760 mmHg (Cal.)
• Flash point: 713.583°C (Cal.)
• solubility: Soluble to 1 mg/ml in water