CAS No.197632-75-0,FMOC-METRP(BOC)-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	197632-75-0
Name:	FMOC-METRP(BOC)-OH

Formula:	C₃₂H₃₂N₂O₆
Molecular Weight:	540.616
Synonyms:	Fmoc-metrp(boc)-OH;N-alpha-(9-Fluorenylmethoxycarbonyl)-N-alpha-methyL-N-in-t-butoxycarbonyl-L-tryptophan;
Density:	1.26 g/cm³
Boiling Point:	710.9±70.0 °C(Predicted)
PSA:	98.07000
LogP:	6.30110

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Specification

The IUPAC name of L-Tryptophan,1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl- is 1-(tert-butoxycarbonyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-α-methyl-D-tryptophan. With the CAS registry number 197632-75-0, it is also named as N-alpha-(9-Fluorenylmethoxycarbonyl)-N-alpha-methyL-N-in-t-butoxycarbonyl-L-tryptophan. The product should be stored at -15 °C. In addition, its molecular formula is C₃₂H₃₂N₂O₆and molecular weight is 540.61.

The other characteristics of L-Tryptophan,1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl- can be summarized as: (1)ACD/LogP: 6.82; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 2252; (6)ACD/BCF (pH 7.4): 72; (7)ACD/KOC (pH 5.5): 2298; (8)ACD/KOC (pH 7.4): 74; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 106.86 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 150.804 cm³; (15)Molar Volume: 429.186 cm³; (16)Polarizability: 59.783×10^-24cm³; (17)Surface Tension: 48.138 dyne/cm; (18)Density: 1.26 g/cm³.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@](NC(=O)OCC3c1ccccc1c2ccccc23)(C)Cc5c4ccccc4n(c5)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C32H32N2O6/c1-31(2,3)40-30(38)34-18-20(21-11-9-10-16-27(21)34)17-32(4,28(35)36)33-29(37)39-19-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h5-16,18,26H,17,19H2,1-4H3,(H,33,37)(H,35,36)/t32-/m1/s1
(3)InChIKey: MXKJLYRFMUOEPT-JGCGQSQUBG
(4)Std. InChI: InChI=1S/C32H32N2O6/c1-31(2,3)40-30(38)34-18-20(21-11-9-10-16-27(21)34)17-32(4,28(35)36)33-29(37)39-19-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h5-16,18,26H,17,19H2,1-4H3,(H,33,37)(H,35,36)/t32-/m1/s1
(5)Std. InChIKey: MXKJLYRFMUOEPT-JGCGQSQUSA-N